Canophyllol
HIT106631081
sdf文件结构编辑类似物检索
HIT ID: HIT106631081
Cas No:
分子式: C30H50O2
分子量: 442.728
常用名: Canophyllol
氢键受体数 (HBA): 2
氢键供体数 (HBD): 1
LogP: 7.3
IUPAC: (4R,4aS,6aS,6bR,8aS,12aS,12bS,14aS,14bS)-8a-(hydroxymethyl)-4,4a,6b,11,11,12b,14a-heptamethyl-docosahydropicen-3-one
IUPAC: (4R,4aS,6aS,6bR,8aS,12aS,12bS,14aS,14bS)-8a-(hydroxymethyl)-4,4a,6b,11,11,12b,14a-heptamethyl-docosahydropicen-3-one
SMILES: C[C@H]1C(=O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3CC(C)(C)CC[C@]3(CO)CC[C@]12C
SMILES: C[C@H]1C(=O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3CC(C)(C)CC[C@]3(CO)CC[C@]12C
InChI key: YPWQSKQSNNTXOL-TWWFCBCGSA-N
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TargetMol
SC
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Mcule
SC
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