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19-Hydroxytabersonine

AlkaPlorer ID: AK003713

Synonym: '', '19R-Hydroxytabersonine', '19-Hydroxytabersonine'

IUPAC Name: methyl (1R,12S,19R)-12-[(1R)-1-hydroxyethyl]-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,9,13-pentaene-10-carboxylate

Structure

SMILES: COC(=O)C1=C2NC3=CC=CC=C3[C@@]23CCN2CC=C[C@@]([C@@H](C)O)(C1)[C@H]23

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InChI: InChI=1S/C21H24N2O3/c1-13(24)20-8-5-10-23-11-9-21(19(20)23)15-6-3-4-7-16(15)22-17(21)14(12-20)18(25)26-2/h3-8,13,19,22,24H,9-12H2,1-2H3/t13-,19+,20+,21+/m1/s1

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InChIKey: XDGRXQNYJMQLPU-VLCNGCBASA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Catharanthus ovalis Catharanthus Apocynaceae Gentianales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 352.4340000000001

TPSA？: 61.8

MolLogP？: 2.192

Number of H-Donors: 2

Number of H-Acceptors: 5

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT004547 CC(=O)[CoA].COC(=O)C1=C2Nc3ccccc3[C@@]23CCN2CC=C[C@@]([C@@H](C)O)(C1)[C@H]23>>COC(=O)C1=C2Nc3ccccc3[C@@]23CCN2CC=C[C@@]([C@@H](C)OC(C)=O)(C1)[C@H]23 61072