기본 정보
- CAS
19186-35-7- 표준 SMILES
COc1cc([C@@H]2c3cc4c(cc3C[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC- InChIKey
ZGLXUQQMLLIKAN-SVIJTADQSA-N- 분자식
- C22H22O7
- 평균 분자량
- 398.4 g/mol
- 단동위원소 질량
- 398.13655304
개요
Deoxypodophyllotoxin is a member of the class of furonaphthodioxoles that is (5R,5aR,8aR)-5,8,8a,9-tetrahydro-2H-furo[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5aH)-one substituted at position 5 by a 3,4,5-trimethoxyphenyl group. It has a role as an antineoplastic agent, an apoptosis inducer and a plant metabolite. It is a lignan, a gamma-lactone, a furonaphthodioxole and a member of methoxybenzenes.
이름 및 식별자
- 우선 이름
- Deoxypodophyllotoxin
- IUPAC
- (5R,5aR,8aR)-5-(3,4,5-trimethoxyphenyl)-5a,8,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-6-one
- 영어명
- Desoxypodophyllotoxin
- 분자식
- C22H22O7
- 분자량
- 398.41
이름 및 동의어
Deoxypodophyllotoxin4-DeoxypodophyllotoxinDesoxypodophyllotoxinCHEBI:4429DTXSID701019944(5R,5aR,8aR)-5-(3,4,5-trimethoxyphenyl)-5a,8,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-6-one(5R,5aR,8aR)-5-(3,4,5-trimethoxyphenyl)-5a,8,8a,9-tetrahydro-5H-(2)benzofuro(5,6-f)(1,3)benzodioxol-6-one5,8,8a,9-Tetrahydro-5-(3,4,5-trimethoxyphenyl)furo(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(5aH)-oneRefChem:919890DTXCID901477803(5R,8aR)-5-(3,4,5-trimethoxyphenyl)-5a,8,8a,9-tetrahydro-5H-(2)benzofuro(5,6-f)(1,3)benzodioxol-6-one19186-35-7
이름 더 보기
anthricAnthricin/DeoxypodophyllotoxinPodophyllotoxin 9-Desoxy ImpurityDeoxypodophyllotoxin, 10 mM in DMSODeoxypodophyllotoxin, deoxypodophyllotoxin
Anthricin(-)-DeoxypodophyllotoxinSilicicolin(-)-Anthricin(-)-DesoxypodophyllotoxinHernandinHernandionNSC403148
물성
구조 계산 물성
- XLogP
- 3.1
- 극성 표면적
- 72.5 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 29
- 형식 전하
- 0
- 복잡도
- 598
실험 및 물리화학적 성질
LogP3.16
Endocrine DisruptorsPotential endocrine disrupting compound
물리화학적 성질
- 저장 조건
- 2 · Store at 2-8°C
- 용해도
- Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
- 물리적 상태
- 가루
- 끓는 점
- 564.5 · 564.5±50.0 °C(Predicted)
- 밀도
- 1.304 · 1.304±0.06 g/cm3(Predicted)
- 녹는점
- 168 °C · 168 °C
- 색상
- White to off-white
- 안정성
- 흡습성
- InChI
- InChI=1S/C22H22O7/c1-24-17-6-12(7-18(25-2)21(17)26-3)19-14-8-16-15(28-10-29-16)5-11(14)4-13-9-27-22(23)20(13)19/h5-8,13,19-20H,4,9-10H2,1-3H3/t13-,19+,20-/m0/s1
- InChIKey
- ZGLXUQQMLLIKAN-SVIJTADQSA-N
- SMILES
- O1C2=CC3=C(C=C2OC1)[C@@H](C1=CC(OC)=C(OC)C(OC)=C1)[C@@]1([H])C(=O)OC[C@]1([H])C3
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- 신호 어
- Danger
- 유해·위험 문구
- 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H310
화학 및 산업
약리 정보
Metabolism/Metabolites
Deoxypodophyllotoxin has known human metabolites that include 5-hydroxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one, 5-(4-Hydroxy-3,5-dimethoxyphenyl)-5a,8,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-6-one, and 6,7-Dihydroxy-4-(3,4,5-trimethoxyphenyl)-3a,4,9,9a-tetrahydro-1H-benzo[f][2]benzofuran-3-one.
MeSH Pharmacological Classification
Semisynthetic conjugates of various toxic molecules, including RADIOACTIVE ISOTOPES and bacterial or plant toxins, with specific immune substances such as IMMUNOGLOBULINS; MONOCLONAL ANTIBODIES; and ANTIGENS. The antitumor or antiviral immune substance carries the toxin to the tumor or infected cell where the toxin exerts its poisonous effect.
Agents used in the prophylaxis or therapy of VIRUS DISEASES. Some of the ways they may act include preventing viral replication by inhibiting viral DNA polymerase; binding to specific cell-surface receptors and inhibiting viral penetration or uncoating; inhibiting viral protein synthesis; or blocking late stages of virus assembly.
응용 분야
용도4-Deoxypodophyllotoxin is a medicinal herb product isolated from Anthriscus sylvestris Hoffm. It is well known for its antitumor, antiviral, and anti-inflammatory activities. 4-Deoxypodophyllotoxin wa s also shown to inhibit the passive cutaneous anaphylaxis reaction.
공급사89 곳
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
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