(3aR,6S,7aS)-3a-(3,4-dimethoxyphenyl)-1,2,3,6,7,7a-hexahydroindol-6-ol

AlkaPlorer ID: AK168902

Synonym: None

IUPAC Name: (3aR,6S,7aS)-3a-(3,4-dimethoxyphenyl)-1,2,3,6,7,7a-hexahydroindol-6-ol

Structure

SMILES: COC1=CC=C([C@@]23C=C[C@@H](O)C[C@@H]2NCC3)C=C1OC

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InChI: InChI=1S/C16H21NO3/c1-19-13-4-3-11(9-14(13)20-2)16-6-5-12(18)10-15(16)17-8-7-16/h3-6,9,12,15,17-18H,7-8,10H2,1-2H3/t12-,15+,16+/m1/s1

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InChIKey: ZBZDEUDHHWTNMS-KCXAZCMYSA-N

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Properties Information

Molecule Weight: 275.348

TPSA: 50.72

MolLogP: 1.6243

Number of H-Donors: 2

Number of H-Acceptors: 4

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information