Cylindrol B
HIT100206693
sdf文件结构编辑类似物检索
HIT ID: HIT100206693
Cas No: 165187-16-6
分子式: C23H30O4
分子量: 370.489
常用名: Cylindrol B
氢键受体数 (HBA): 4
氢键供体数 (HBD): 2
LogP: 6.05
IUPAC: 2,4-dihydroxy-6-methyl-3-[(2E,4E)-3-methyl-5-[(1R,2R,6R)-1,2,6-trimethyl-3-oxocyclohexyl]penta-2,4-dien-1-yl]benzaldehyde
IUPAC: 2,4-dihydroxy-6-methyl-3-[(2E,4E)-3-methyl-5-[(1R,2R,6R)-1,2,6-trimethyl-3-oxocyclohexyl]penta-2,4-dien-1-yl]benzaldehyde
SMILES: C[C@@H]1CCC(=O)[C@H](C)[C@@]1(C)\C=C\C(\C)=C\Cc1c(O)cc(C)c(C=O)c1O
SMILES: C[C@@H]1CCC(=O)[C@H](C)[C@@]1(C)\C=C\C(\C)=C\Cc1c(O)cc(C)c(C=O)c1O
InChI key: AQCKKGIVKOHRLM-HBFAXEOFSA-N
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