Vincamine; (+)-form, 12-Methoxy, 14,15-didehydro

AlkaPlorer ID: AK317681

Synonym: 14,15-Didehydro-12-methoxyvincamime, 12-Methoxy-14,15-dehydrovincamine, 12-Methoxy-Δ14-vincamine 

IUPAC Name: methyl 15-ethyl-17-hydroxy-3-methoxy-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2(7),3,5,8(18),13-pentaene-17-carboxylate

Structure

SMILES: CCC12C=CCN3CCC4=C(C31)N(C1=C(OC)C=CC=C41)C(O)(C(=O)OC)C2

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InChI: InChI=1S/C22H26N2O4/c1-4-21-10-6-11-23-12-9-15-14-7-5-8-16(27-2)17(14)24(18(15)19(21)23)22(26,13-21)20(25)28-3/h5-8,10,19,26H,4,9,11-13H2,1-3H3

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InChIKey: HXLJZBYCWRILKD-UHFFFAOYSA-N

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Reference

PubChem CID: 78173025

CAS: 42496-83-3

COCONUT: CNP0163724.1

Properties Information

Molecule Weight: 382.4600000000002

TPSA: 63.92999999999999

MolLogP: 2.7371000000000008

Number of H-Donors: 1

Number of H-Acceptors: 6

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information