Gelsemicine
AlkaPlorer ID: AK003985
Synonym: None
IUPAC Name: None
Structure
SMILES: CC[C@H]1[NH2+][C@H]2C[C@@]3(C(=O)N(OC)C4=CC(OC)=CC=C43)[C@H]3C[C@@H]1[C@@H]2CO3
InChI: InChI=1S/C20H26N2O4/c1-4-15-12-8-18-20(9-16(21-15)13(12)10-26-18)14-6-5-11(24-2)7-17(14)22(25-3)19(20)23/h5-7,12-13,15-16,18,21H,4,8-10H2,1-3H3/p+1/t12-,13+,15-,16+,18-,20+/m1/s1
InChIKey: RIHQHYIWKHVLRH-XKTBTPLDSA-O
Reference
THREE MINOR ALKALOIDS OF <i>GELSEMIUM</i><i>SEMPERVIRENS</i> AIT.
LOTUS: LTS0063179
SuperNatural Ⅲ: SN0326146-05
NPASS: NPC243626
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Gelsemium sempervirens | Gelsemium | Gelsemiaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Gelsemium elegans | Gelsemium | Gelsemiaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 359.4460000000001
TPSA？: 64.61000000000001
MolLogP？: 0.9902000000000004
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | A-431 | EC50 | 750.0 | nM | 10.1021/np060016o |