14,15-Dehydro-16-epi-vincine
AlkaPlorer ID: AK078525
Synonym: 'Dehydro-14-isovincine', '14,15-Didehydro-16-epivincine', 'Epivincine'
IUPAC Name: methyl (15R,17S,19S)-15-ethyl-17-hydroxy-4-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: CC[C@@]12C=CCN3CCC4=C([C@@H]31)N(C1=CC(OC)=CC=C41)[C@@](O)(C(=O)OC)C2
InChI: InChI=1S/C22H26N2O4/c1-4-21-9-5-10-23-11-8-16-15-7-6-14(27-2)12-17(15)24(18(16)19(21)23)22(26,13-21)20(25)28-3/h5-7,9,12,19,26H,4,8,10-11,13H2,1-3H3/t19-,21+,22+/m1/s1
InChIKey: HTWQPFKEAAOZFQ-HJNYFJLDSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
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 |
|---|---|---|---|---|---|
| Rattus norvegicus | Aortic artery | EC50 | 2200.0 | nM | 10.1021/acs.jnatprod.9b00925 |