기본 정보
- CAS
3856-25-5- 표준 SMILES
CC1=CC[C@H]2[C@H]3[C@@H]1[C@]2(C)CC[C@H]3C(C)C- InChIKey
VLXDPFLIRFYIME-BTFPBAQTSA-N- 분자식
- C15H24
- 평균 분자량
- 204.35 g/mol
개요
alpha-copaene has been reported in Perilla frutescens, Dendropanax trifidus, and other organisms with data available.
이름 및 식별자
- 우선 이름
- Copaene
- IUPAC
- (1R,2S,6S,7S,8S)-1,3-dimethyl-8-propan-2-yltricyclo[4.4.0.02,7]dec-3-ene
- 현지명
- (-)-알파-코파엔
- 영어명
- (-)-alpha-Copaene
- 분자식
- C15H24
- 분자량
- 204.35
이름 및 동의어
Copaene3856-25-5Aglaiene(-)-copaeneUNII-0V56HXQ8N50V56HXQ8N5COPAENE [MI]EINECS 223-364-4COPAENE, .ALPHA.-(1R,2S,6S,7S,8S)-1,3-Dimethyl-8-propan-2-yltricyclo[4.4.0.02,7]dec-3-ene8-Isopropyl-1,3-dimethyltricyclo(4.4.0.02,7)dec-3-eneTRICYCLO(4.4.0.02,7)DEC-3-ENE, 8-ISOPROPYL-1,3-DIMETHYL-
이름 더 보기
(-)-알파-코파엔Ylangeneα-Copaenealfa-CopaeneCopaenTricyclo[4.4.0.0(2,7)]dec-3-ene, 1,3-dimethyl-8-(1-methylethyl)-, stTricyclo[4.4.0.02,7]dec-3-ene, 1,3-dimethyl-8-(1-methylethyl)-, (1R,2S,6S,7S,8S)-C09639(-)-α Copaene
(1R,2S,6S,7S,8S)-(-)-8-ISOPROPYL-1,3-DIMETHYLTRICYCLO(4.4.0.02,7)DEC-3-ENE(1R,2S,6S,7S,8S)-(-)-8-Isopropyl-1,3-dimethyltricyclo[4.4.0.02,7]dec-3-ene(1R,2S,6S,7S,8S)-1,3-Dimethyl-8-(1-methylethyl)tricyclo[4.4.0.02,7]dec-3-eneTRICYCLO(4.4.0.02,7)DEC-3-ENE, 1,3-DIMETHYL-8-(1-METHYLETHYL)-, (1R,2S,6S,7S,8S)-TRICYCLO(4.4.0.02,7)DEC-3-ENE, 8-ISOPROPYL-1,3-DIMETHYL-, (1R,2S,6S,7S,8S)-(-)-8-isopropyl-1,3-dimethyltricyclo[4.4.0.02,7]dec-3-eneDTXSID30873067alpha-Copanene
데이터베이스 식별자
- CAS
3856-25-5- PubChem CID
- 12303902
- ChEMBL
CHEMBL2269081、CHEMBL6142141- UNII
- 0V56HXQ8N5
- EC Number
- 223-364-4
물성
구조 계산 물성
- XLogP
- 4.5
- 극성 표면적
- 0 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 0
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 15
- 형식 전하
- 0
- 복잡도
- 312
물리화학적 성질
- 녹는점
- 74 °C · 74 °C
- 끓는 점
- 124 °C15 · 124 °C15 mm Hg(lit.)
- 밀도
- 0.91 g/mL · 0.910 g/mL at 20 °C(lit.)
- 굴절률
- 20 · n20/D 1.490
- 저장 조건
- 20 °C · −20°C
- 용해도
- 클로로포름(소량으로 용해), 메탄올(약간 용해됨)
- 물리적 상태
- 기름
- 색상
- 무색
- 냄새
- 100 %에서 · 100.00%에서. 우디 매운 꿀
- 냄새 유형
- 우디
- LogP
- 5.71 · 5.710
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H226 (50%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P264, P280, P301+P316, P302+P352, P303+P361+P353, P321, P331, P332+P317, P362+P364, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesFlam. Liq. 3 (50%)
안전 데이터
- wgk
- 3
- F 고인화성물질
- 10-23
화학 및 산업
응용 분야
개요α-Copaene is a sesquiterpene found in a variety of plants, including Cannabis, that has antiproliferative and antioxidant properties. It inhibits proliferation of primary rat neurons and N2a rat neuroblastoma cells in a concentration-dependent manner and cultured human lymphocytes when used at concentrations greater than 100 mg/L. α-Copaene (25 mg/L) increases total antioxidant capacity in primary rat neurons and N2a neuroblastoma cells, as well as cultured human lymphocytes, when used at concentrations of 50 and 100 mg/L.
용도α-Copaene is a tricyclicsesquiterpenesand can be extracted from the oil of S. aethiopis. It also exhibit anti-plasmodial activity againstP. falciparum in culture.
추가 설명
정의ChEBI: A sesquiterpene that is tricyclo[4.4.0.02,7]dec-3-ene bearing an isopropyl substituent at position 8 and two methyl substituents at positions 1 and 3 (the 1S,6S,7S,8S- iastereomer).
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