Heinsiagenin B
AlkaPlorer ID: AK300092
Synonym: None
IUPAC Name: N-(4,5-dimethyl-2-oxooxolan-3-yl)-6-(3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,8,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-methylhepta-2,4-dienamide
Structure
SMILES: CC(=CC=CC(C)C1CCC2(C)C3CCC4C(C)(CCC(O)C4(C)C)C3=CCC12C)C(=O)NC1C(=O)OC(C)C1C
InChI: InChI=1S/C36H55NO4/c1-21(11-10-12-22(2)31(39)37-30-23(3)24(4)41-32(30)40)25-15-19-36(9)27-13-14-28-33(5,6)29(38)17-18-34(28,7)26(27)16-20-35(25,36)8/h10-12,16,21,23-25,27-30,38H,13-15,17-20H2,1-9H3,(H,37,39)
InChIKey: CCHVCVBBYFYYES-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Heinsia | Rubiaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 565.8390000000003
TPSA？: 75.63000000000001
MolLogP？: 7.157300000000008
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|