홈MCP워크벤치Skills
홈워크벤치알림마이페이지
Huagongshe 오픈 프로젝트:[email protected]AI 접속: llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.7.8
  1. 홈
  2. /화합물

올레아놀릭애씨드

Oleanolic Acid

HCID 10494
노트반응
기본 정보이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
508-02-1
표준 SMILES
CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1
InChIKey
MIJYXULNPSFWEK-GTOFXWBISA-N
분자식
C30H48O3
평균 분자량
456.7 g/mol
단동위원소 질량
456.36034539

이름 및 식별자

우선 이름
Oleanolic Acid
IUPAC
(4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
현지명
올레아놀릭애씨드
영어명
Oleanolic acid
분자식
C30H48O3
분자량
456.7

이름 및 동의어

OLEANOLIC ACID508-02-1Oleanic acidCaryophyllinAstrantiagenin CGiganteumgenin CVirgaureagenin B3beta-Hydroxyolean-12-en-28-oic acidOleanololeonolic acid(4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid6SMK8R7TGJ
이름 더 보기
올레아놀릭애씨드OleanolicOleanoic AcidOleanlic AcidOLEANOLIC ACID HYDRATE(3-beta)-olean-12-en-28-oicaci3-HYDROXYOLEAN-12-EN-28-OIC ACID(3-beta)-3-hydroxyolean-12-en-28-oicacideanoL
NSC-114945Olean-12-en-28-oic acid, 3-hydroxy-, (3beta)-DTXSID50858790CHEBI:37659Triterpenes, OleananeRefChem:6084DTXCID701474453208-081-6

데이터베이스 식별자

CAS
508-02-1
PubChem CID
10494
DTXSID
DTXSID50858790
ChEMBL
CHEMBL168
ChEBI
CHEBI:37659
UNII
6SMK8R7TGJ
EC Number
208-081-6
Nikkaji
J6.235I

물성

구조 계산 물성

XLogP
7.5
극성 표면적
57.5 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
3
회전 가능 결합 수
1
무거운 원자 수
33
형식 전하
0
복잡도
885

실험 및 물리화학적 성질

Melting Point310 °C
Physical DescriptionSolid

물리화학적 성질

녹는점
300 °C · >300 °C (lit.)
끓는 점
502.79 °C · 502.79°C (rough estimate)
밀도
1.0261 · 1.0261 (rough estimate)
굴절률
1.494 · 1.4940 (estimate)
저장 조건
2 · 2-8°C
용해도
클로로포름(아주 약간 용해됨), DMSO(약간 용해됨, 가열), 메탄올(약간 용해됨, 가열)
물리적 상태
Solid
산도 계수 (pKa)
2.52 · 2.52(at 25℃)
색상
연노랑
Merck
14 · 14,6827
화장품 원료 기능
피부 컨디셔닝
InChIKey
NZQIXFRGWXNLSP-IDYUENATSA-N
SMILES
[H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]3(C)C2=CC[C@]4([H])[C@@]5(C)CC[C@H](O)C(C)(C)[C@]5([H])CC[C@@]34C)C(O)=O
LogP
8.576 · 8.576 (est)
EPA
Oleanolic acid (508-02-1)

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 3건

This chemical does not meet GHS hazard criteria for 94.4% (68 of 72) of all reports.

Not Classified;Reported as not meeting GHS hazard criteria by 68 of 72 companies (only 5.6% companies provided GHS information). For more detailed information, please visit ECHA C&L website.

Aggregated GHS information provided per 72 reports by companies from 5 notifications to the ECHA C&L Inventory.;Reported as not meeting GHS hazard criteria per 68 of 72 reports by companies.;There are 3 notifications provided by 4 of 72 reports by companies with hazard statement code(s).;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

유해성 정보

Regulatory InformationChemical: Olean-12-en-28-oic acid, 3-hydroxy-, (3.beta.)-
Hazard Classes and CategoriesNot Classified

규제 정보

Regulatory InformationChemical: Olean-12-en-28-oic acid, 3-hydroxy-, (3.beta.)-

안전 데이터

wgk
2
tsca
TSCA listed
rtecs
RK0177965
HS 번호
29181990
risk_code
36/37/38
hazard_code
Xi
safety_code
26-36-37/39-60-37
스토리지 클래스
11 - Combustible Solids

화학 및 산업

약리 정보

Cellular LocationsExtracellular;Membrane

용도 및 제조

General Manufacturing InformationOlean-12-en-28-oic acid, 3-hydroxy-, (3.beta.)-: ACTIVE
응용 분야 · 5건

개요Oleanolic acid or oleanic acid is a naturally occurring pentacyclic triterpenoid with the formula of C30H48O3. It was found in the non-glyceride fraction of olive pomace oil and is widely distributed in food and plants where it exists as a free acid or as an aglycone precursor for triterpenoid saponins, in which it can be linked to one or more sugar chains. It is biosynthesized from lupane. It can rearrange to the isomer, ursolic acid, or be oxidized to taraxasterol and amyrin. Oleanolic acid and its derivatives possess several promising pharmacological activities, such as hepatoprotective effects, and anti-inflammatory, antioxidant, or anticancer activities.

출처The ingredient is mainly extracted from the leaves of Olea europaea and Viscum album L. Besides, it is found in the fruit of ligustrum lucidum ait, the whole grass of swertia mileensis t.n.he et w.l.shi, s. mussotii franch, the leaves and roots of astrantia major, the root bark and stem bark of aralia chinensis, the roots of hemsleya macrosperma c.y.wu , the roots of hemsleya amabilis diels, and the roots of hemsleya chinensis cogn. There is a long history in the herb and fruit which contain oleanolic acid. They play an important role in the treatment of various diseases. Oleanolic acid may be the most effective component in various Chinese medicines.

역사The chemical formula was first identified in 1918. In 1960, Khastgir purified the compound for the first time. Corey identified the structure of oleanolic acid in 1993.Now the compound has been made into a drug and is being marketed in China. As early as 2002, the tablet form of oleanolic acid was listed. In 2010, capsule preparations came into the market, and to date, there is no other listed preparation. Sanofi treated it as antiulcer and NSAIDs candidate in abroad.Although it has anti-inflammatory and anti-ulcer effects, Sanofi stopped the study of developing oleanolic acid into a drug in 1989.

용도Oleanolic acid is a triterpenoid known for its anti-inflammatory properties, is commonly present in several medicinal plants. It can Inhibits secretory phospholipase A2 that is mainly used for the treatment of acute jaundiced hepatitis with remarkable efficacy, and also has good effect on chronic hepatitis.

일반 설명Oleanolic acid is a hydroxyl pentacyclic triterpenoic acid (HPTA), which exhibits antibacterial, antitumor and antileishmanial activity. It is biosynthesized from lupane. It can rearrange to the isomer, ursolic acid, or be oxidized to taraxasterol and amyrin.

상·하류 제품 정보

하류 제품

Bardoxolone methyl에틸(3베타)-3-하이드록시올린-12-엔-28-오에이트3-Oxo-olean-12-en-28-oic acid2-시아노-3,12-디옥술레아나-1,9-디엔-28-오산올레아놀산벤조에이트

공급사100 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
成都健腾生物技术有限公司028-85159085 18080455027 · [email protected]
西安天朗源生物科技有限公司17749038280 17749038280 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]
上海如吉生物科技发展有限公司+86-21-65211385-8001 36031160 · [email protected]
Shaanxi Huike Botanical Development Co., Ltd+86-29-62663046 · [email protected]
韶远科技(上海)有限公司4000665055 · [email protected]
南京丙承生物科技有限公司18805194892 · [email protected]
Syntechem Co.,Ltd[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
大连美仑生物技术有限公司0411-62910999 13889544652 · [email protected]
阿法埃莎(中国)化学有限公司400-6106006 · [email protected]
江苏弘和药物研发有限公司5108538618 · [email protected]
安耐吉化学&3A(安徽泽升科技股份有限公司)400-0056266 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
天津万象恒远科技有限公司15722085254 · [email protected]
成都普菲德生物技术有限公司028-82610909 13388174823 · [email protected]
上海融禾医药科技发展有限公司17301719108 13341702378 · [email protected]
上海景颜化工科技有限公司13817811078 · [email protected]
嘉兴市艾森化工有限公司0573-85285100 18627885956 · [email protected]
TransMIT GmbH PlantMetaChem+49-172-1024293 · [email protected]
深圳虹彩祥根生物科技有限公司+86-0755-89668383 · [email protected]
上海隆盛化工有限公司58099637 13585536065 · [email protected]
南京春秋生物工程有限公司17388075642 13815430202 · [email protected]
武汉丰泰威远科技有限公司027-87465837 19945049750 · [email protected]
杭州东帆化学有限公司86-0571-85151182
云南西力生物技术股份有限公司0871-65217109 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
四川库利南科技有限公司400-1166-196 18981987031 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
湖南汇百侍生物科技有限公司0731-85526065 13308475853 · [email protected]
成都健腾生物技术有限公司86-28-85159085 · [email protected]
武汉海正工贸发展有限公司027-8866 0053/88660577/88660578
上海源叶生物科技有限公司18916372613 · [email protected]
艾科试剂4008-755-333 18080918076 · [email protected]
成都锦然生物科技有限公司028-83311324 1278112614 · [email protected]
上海思域化工科技有限公司86-21-34053660 · [email protected]
西安康培基生物科技有限公司86-029-85456576 · [email protected]
AdooQ BioScience, LLC+1 (866) 930-6790 · [email protected]
上海健超生物科技有限公司150-2103-5486 18017383231 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
南京杜莱生物技术有限公司025-84699383-8003;025-846993838003-8003 18013301590 · [email protected]
广州爱纯医药科技有限公司020-39119399 18927568969 · [email protected]
추가 설명 · 1건

정의ChEBI: Oleanolic acid is a pentacyclic triterpenoid that is olean-12-en-28-oic acid substituted by a beta-hydroxy group at position 3. It has a role as a plant metabolite. It is a pentacyclic triterpenoid and a hydroxy monocarboxylic acid. It is a conjugate acid of an oleanolate. It derives from a hydride of an oleanane.

관련 반응

3건
반응 기록 만들기
HRID 580310 반응식
HRID 580310반응물로uspto-grants-1988_06
HRID 2190248 반응식
HRID 2190248반응물로uspto-grants-2012_12
HRID 2190252 반응식
HRID 2190252반응물로uspto-grants-2012_12

화합물 노트

불러오는 중…

이 페이지에서기본 정보이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트