Mesembrenol; (+)-form, 4,5-Dihydro, O4'-de-Me
AlkaPlorer ID: AK305625
Synonym: 4'-O-Demethylmesembranol
IUPAC Name: 3a-(4-hydroxy-3-methoxyphenyl)-1-methyl-3,4,5,6,7,7a-hexahydro-2H-indol-6-ol
Structure
SMILES: COC1=CC(C23CCC(O)CC2N(C)CC3)=CC=C1O
InChI: InChI=1S/C16H23NO3/c1-17-8-7-16(6-5-12(18)10-15(16)17)11-3-4-13(19)14(9-11)20-2/h3-4,9,12,15,18-19H,5-8,10H2,1-2H3
InChIKey: HFIOZTPJJNPXGP-UHFFFAOYSA-N
Source
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Properties Information
Molecule Weight: 277.364
TPSA？: 52.93000000000001
MolLogP？: 1.8875
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 3
Activities Information
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