20-Aminopregnan-3-one; (5α,20S)-form
AlkaPlorer ID: AK287266
Synonym: Wrightiamine B
IUPAC Name: 17-(1-aminoethyl)-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
Structure
SMILES: CC(N)C1CCC2C3CCC4CC(=O)CCC4(C)C3CCC12C
InChI: InChI=1S/C21H35NO/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h13-14,16-19H,4-12,22H2,1-3H3
InChIKey: HUZKCJXXNQCADJ-UHFFFAOYSA-N
Reference
Wrightiamines A and B, Two New Cytotoxic Pregnane Alkaloids from Wrightia javanica
PubChem CID: 85366337
CAS: 640266-39-3
LOTUS: LTS0273550
COCONUT: CNP0128225.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Wrightia | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 317.51700000000005
TPSA？: 43.09
MolLogP？: 4.561600000000005
Number of H-Donors: 1
Number of H-Acceptors: 2
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|