Abscisic alcohol
HIT101889688
sdf文件结构编辑类似物检索
HIT ID: HIT101889688
Cas No: 113472-20-1
分子式: C15H22O3
分子量: 250.338
常用名: Abscisic alcohol
氢键受体数 (HBA): 3
氢键供体数 (HBD): 2
LogP: 1.773
IUPAC: (4S)-4-hydroxy-4-[(1E,3E)-5-hydroxy-3-methylpenta-1,3-dien-1-yl]-3,5,5-trimethylcyclohex-2-en-1-one
IUPAC: (4S)-4-hydroxy-4-[(1E,3E)-5-hydroxy-3-methylpenta-1,3-dien-1-yl]-3,5,5-trimethylcyclohex-2-en-1-one
SMILES: C\C(=C/CO)\C=C\[C@@]1(O)C(C)=CC(=O)CC1(C)C |c:10|
SMILES: C\C(=C/CO)\C=C\[C@@]1(O)C(C)=CC(=O)CC1(C)C |c:10|
InChI key: GRJFTUSJGMRSSJ-SQGBXOFWSA-N
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