(+)-14,15-Dehydro-16-epivincamine
AlkaPlorer ID: AK114548
Synonym: 'Dehydroepivincamine', '14,15-Dehydro-16-epivincamine', '14,15-Didehydro-16-epivincamine'
IUPAC Name: methyl (15R,17S,19S)-15-ethyl-17-hydroxy-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),13-pentaene-17-carboxylate
Structure
SMILES: CC[C@@]12C=CCN3CCC4=C([C@@H]31)N(C1=CC=CC=C41)[C@@](O)(C(=O)OC)C2
InChI: InChI=1S/C21H24N2O3/c1-3-20-10-6-11-22-12-9-15-14-7-4-5-8-16(14)23(17(15)18(20)22)21(25,13-20)19(24)26-2/h4-8,10,18,25H,3,9,11-13H2,1-2H3/t18-,20+,21+/m1/s1
InChIKey: BQGJXFQCMYJENQ-GIVPXCGWSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 352.4340000000002
TPSA？: 54.7
MolLogP？: 2.7285000000000013
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Rattus norvegicus | Aortic artery | EC50 | 1900.0 | nM | 10.1021/acs.jnatprod.9b00925 |