Forskoditerpenoside C
기본 정보
- CAS
1041183-11-2- 표준 SMILES
C=C[C@@]1(C)CC(=O)[C@H]2[C@](C)(O1)[C@@H](O)[C@@H](OC(C)=O)[C@H]1C(C)(C)CC[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@]12C- InChIKey
JLNFSODBKULJEE-NEXFZGQFSA-N- 분자식
- C28H44O11
- 평균 분자량
- 556.6 g/mol
- 단동위원소 질량
- 556.28836222
개요
Forskoditerpenoside C is a diterpene glycoside that is labd-14-en-11-one substituted by beta-acetoxy group at position 6, an epoxy group between positions 8 and 13, a beta-hydroxy group at position 7 and a beta-D-glucopyranosyloxy group at position 1 (the 1alpha stereoisomer). Isolated from the whole plant of Coleus forskohlii, it shows relaxative effects on isolated guinea pig tracheal spirals in vitro. It has a role as a metabolite and a muscle relaxant. It is a beta-D-glucoside, a labdane diterpenoid, a cyclic ether, a cyclic ketone, an acetate ester and a diterpene glycoside.
이름 및 식별자
- 우선 이름
- Forskoditerpenoside C
- IUPAC
- [(3R,4aS,5S,6S,6aS,10S,10aS,10bR)-3-ethenyl-5-hydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,5,6,6a,8,9,10,10b-octahydrobenzo[f]chromen-6-yl] acetate
이름 및 동의어
Forskoditerpenoside CCHEBI:65907(3R,4aS,5S,6S,6aS,10S,10aS,10bR)-10-(beta-D-glucopyranosyloxy)-5-hydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-3-vinyldodecahydro-1H-benzo[f]chromen-6-yl acetate((3R,4aS,5S,6S,6aS,10S,10aS,10bR)-3-ethenyl-5-hydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-10-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy-2,5,6,6a,8,9,10,10b-octahydrobenzo(f)chromen-6-yl) acetate(3R,4aS,5S,6S,6aS,10S,10aS,10bR)-10-(beta-D-glucopyranosyloxy)-5-hydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-3-vinyldodecahydro-1H-benzo(f)chromen-6-yl acetate[(3R,4aS,5S,6S,6aS,10S,10aS,10bR)-3-ethenyl-5-hydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,5,6,6a,8,9,10,10b-octahydrobenzo[f]chromen-6-yl] acetateRefChem:9217816beta-acetoxy-7beta-hydroxy-8,13-epoxy-labd-14-en-11-one-1alpha-O-beta-D-glucopyranosideSCHEMBL31338425DTXSID5010997341041183-11-2Q27134402
이름 더 보기
(3R,4aS,5S,6S,6aS,10S,10aS,10bR)-6-(Acetyloxy)-3-ethenyl-10-(I(2)-D-glucopyranosyloxy)dodecahydro-5-hydroxy-3,4a,7,7,10a-pentamethyl-1H-naphtho[2,1-b]pyran-1-one
데이터베이스 식별자
- CAS
1041183-11-2- PubChem CID
- 24757901
- DTXSID
DTXSID501099734- ChEBI
CHEBI:65907- Nikkaji
- J2.539.607C
물성
구조 계산 물성
- XLogP
- 0.2
- 극성 표면적
- 172 Ų
- 수소 결합 공여자 수
- 5
- 수소 결합 수용자 수
- 11
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 39
- 형식 전하
- 0
- 복잡도
- 985
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