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Colossolactone V

HCID 24898463
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기본 정보

CAS
1031798-95-4
표준 SMILES
COC(=O)CC[C@]1(COC(C)=O)C2=C(CC[C@H]1C(C)(C)O)[C@]1(C)CC[C@H]([C@H](C)[C@@H](C/C=C(/C)C(=O)O)OC(C)=O)[C@@]1(C)CC2
InChIKey
NAIJFFZGPGRMSV-SGTCUYSDSA-N
분자식
C35H54O9
평균 분자량
618.8 g/mol
단동위원소 질량
618.3767833

개요

Colossolactone V is a tricyclic triterpenoid that is 3,4-secolanosta-8,24-diene-3,26-dioic acid 3-methylester substituted by acetoxy groups at positions 19 and 22 and a hydroxy group at position 4. It is isolated from the fruiting bodies of the Vietnamese mushroom Ganoderma colossum and displays inhibitory activity towards the enzyme HIV protease. It has a role as a HIV protease inhibitor and a fungal metabolite. It is a methyl ester, a tertiary alcohol, a dicarboxylic acid monoester, an acetate ester and a tricyclic triterpenoid. It derives from a hydride of a lanostane.

이름 및 식별자

우선 이름
Colossolactone V
IUPAC
(Z,5R,6S)-6-[(3R,3aR,6R,7R,9bR)-6-(acetyloxymethyl)-7-(2-hydroxypropan-2-yl)-6-(3-methoxy-3-oxopropyl)-3a,9b-dimethyl-1,2,3,4,5,7,8,9-octahydrocyclopenta[a]naphthalen-3-yl]-5-acetyloxy-2-methylhept-2-enoic acid

이름 및 동의어

Colossolactone VCHEBI:65649(22R)-3,4-seco-19,22-diacetoxy-4-hydroxylanosta-8,24(Z)-dien-3,26-dioic acid 3-methylester(2Z,5R,6S)-5-(acetyloxy)-6-[(3R,3aR,6R,7R,9bR)-6-[(acetyloxy)methyl]-7-(2-hydroxypropan-2-yl)-6-(3-methoxy-3-oxopropyl)-3a,9b-dimethyl-2,3,3a,4,5,6,7,8,9,9b-decahydro-1H-cyclopenta[a]naphthalen-3-yl]-2-methylhept-2-enoic acidCHEMBL451836DTXSID901098221BDBM504793051031798-95-4Q27134119(Z,5R,6S)-6-[(3R,3aR,6R,7R,9bR)-6-(acetyloxymethyl)-7-(2-hydroxypropan-2-yl)-6-(3-methoxy-3-oxopropyl)-3a,9b-dimethyl-1,2,3,4,5,7,8,9-octahydrocyclopenta[a]naphthalen-3-yl]-5-acetyloxy-2-methylhept-2-enoic acid6-Methyl (3R,3aR,6R,7R,9bR)-3-[(1S,2R,4Z)-2-(acetyloxy)-5-carboxy-1-methyl-4-hexen-1-yl]-6-[(acetyloxy)methyl]-2,3,3a,4,5,6,7,8,9,9b-decahydro-7-(1-hydroxy-1-methylethyl)-3a,9b-dimethyl-1H-benz[e]indene-6-propanoate

데이터베이스 식별자

CAS
1031798-95-4
PubChem CID
24898463
DTXSID
DTXSID901098221
ChEMBL
CHEMBL451836
ChEBI
CHEBI:65649

물성

구조 계산 물성

XLogP
5.2
극성 표면적
136 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
9
회전 가능 결합 수
15
무거운 원자 수
44
형식 전하
0
복잡도
1,200

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