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
SMILES / InChI / InChIKey
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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
InChI Key RXPRRQLKFXBCSJ-GIVPXCGWSA-N
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[9.6.2.0^{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
vincamidol
Database Links Click here for help
CAS Registry No. 1617-90-9 (source: Scifinder)
ChEBI CHEBI:9985
ChEMBL Ligand CHEMBL1165342
DrugCentral Ligand 3643
GtoPdb PubChem SID 135652725
PubChem CID 15376
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Wikipedia Vincamine