10-deoxysarpagine
AlkaPlorer ID: AK009777
Synonym: '', 'Normacusine B', '16-epinormacusine B', 'Vellosiminol', '10-Deoxysarpagine', 'Tombozine', '10-deoxysarpagine', 'Tombozin', 'Sarpagan-17-ol'
IUPAC Name: [(1S,12S,13S,14S,15Z)-15-ethylidene-3,17-diazapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4,6,8-tetraen-13-yl]methanol
Structure
SMILES: C/C=C1\CN2[C@H]3C[C@H]1[C@H](CO)[C@@H]2CC1=C3NC2=CC=CC=C12
InChI: InChI=1S/C19H22N2O/c1-2-11-9-21-17-8-14-12-5-3-4-6-16(12)20-19(14)18(21)7-13(11)15(17)10-22/h2-6,13,15,17-18,20,22H,7-10H2,1H3/b11-2+/t13-,15+,17+,18+/m1/s1
InChIKey: VXTDUGOBAOLMED-CPEJFPLXSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Gelsemium sempervirens | Gelsemium | Gelsemiaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 294.398
TPSA？: 39.26
MolLogP？: 3.024000000000001
Number of H-Donors: 2
Number of H-Acceptors: 2
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | KB | ED50 | None | None | 10.1021/np50050a012 |
| Mus musculus | P388 | ED50 | None | None | 10.1021/np50050a012 |