1,2,3,4-Tetrahydro-6-hydroxy-β-carboline

AlkaPlorer ID: AK092136

Synonym: 2,3,4,9-Tetrahydro-1H-pyrido[3,4-b]indol-6-ol, Plectocomine 

IUPAC Name: 2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-ol

Structure

SMILES: OC1=CC2=C(C=C1)NC1=C2CCNC1

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InChI: InChI=1S/C11H12N2O/c14-7-1-2-10-9(5-7)8-3-4-12-6-11(8)13-10/h1-2,5,12-14H,3-4,6H2

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InChIKey: HASNCBJLQYTILW-UHFFFAOYSA-N

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Properties Information

Molecule Weight: 188.23

TPSA: 48.05

MolLogP: 1.5191999999999997

Number of H-Donors: 3

Number of H-Acceptors: 2

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT024882 Oc1ccc2[nH]c3c(c2c1)CCNC3>>C=O MNXR103616
AKRT024883 Oc1ccc2[nH]c3c(c2c1)CCNC3>>NCCc1c[nH]c2ccc(O)cc12 MNXR103616