vincamine   Click here for help

GtoPdb Ligand ID: 349

Synonyms: vincamidol
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 54.7
Molecular weight 354.19
XLogP 3.69
No. Lipinski's rules broken 0
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Canonical SMILES COC(=O)C1(O)CC2(CC)CCCN3C2c2n1c1ccccc1c2CC3
Isomeric SMILES COC(=O)[C@@]1(O)C[C@]2(CC)CCCN3[C@@H]2c2n1c1ccccc1c2CC3
InChI InChI=1S/C21H26N2O3/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/h4-5,7-8,18,25H,3,6,9-13H2,1-2H3/t18-,20+,21+/m1/s1
Classification Click here for help
Compound class Natural product or derivative
IUPAC Name Click here for help
methyl (15S,17S,19S)-15-ethyl-17-hydroxy-1,11-diazapentacyclo[^{2,7}.0^{8,18}.0^{15,19}]nonadeca-2,4,6,8(18)-tetraene-17-carboxylate
International Nonproprietary Names Click here for help
INN number INN
2714 vincamine
Synonyms Click here for help
Database Links Click here for help
Specialist databases
GPCRdb Ligand vincamine
Other databases
CAS Registry No. 1617-90-9 (source: Scifinder)
ChEMBL Ligand CHEMBL1165342
DrugCentral Ligand 3643
GtoPdb PubChem SID 135652725
PubChem CID 15376
Search Google for chemical match using the InChIKey RXPRRQLKFXBCSJ-GIVPXCGWSA-N
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UniChem Compound Search for chemical match using the InChIKey RXPRRQLKFXBCSJ-GIVPXCGWSA-N
UniChem Connectivity Search for chemical match using the InChIKey RXPRRQLKFXBCSJ-GIVPXCGWSA-N
Wikipedia Vincamine