19-Hydroxytabersonine; (19ξ)-form, 11-Methoxy, 14β,15β-epoxide

AlkaPlorer ID: AK302100

Synonym: Hoerhammerinine, Horhammerinine

IUPAC Name: methyl 12-(1-hydroxyethyl)-5-methoxy-14-oxa-8,17-diazahexacyclo[10.7.1.01,9.02,7.013,15.017,20]icosa-2(7),3,5,9-tetraene-10-carboxylate

Structure

SMILES: COC(=O)C1=C2NC3=CC(OC)=CC=C3C23CCN2CC4OC4C(C(C)O)(C1)C23

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InChI: InChI=1S/C22H26N2O5/c1-11(25)22-9-13(19(26)28-3)17-21(14-5-4-12(27-2)8-15(14)23-17)6-7-24(20(21)22)10-16-18(22)29-16/h4-5,8,11,16,18,20,23,25H,6-7,9-10H2,1-3H3

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InChIKey: JHLKAIJXPRFWJH-UHFFFAOYSA-N

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Source

Properties Information

Molecule Weight: 398.4590000000001

TPSA: 83.56

MolLogP: 1.4117999999999995

Number of H-Donors: 2

Number of H-Acceptors: 7

RingCount: 6

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information