(1E)-7-(dimethylamino)-1-ethylidene-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthrene-2,8-diol
AlkaPlorer ID: AK319445
Synonym: None
IUPAC Name: (17Z)-3-(dimethylamino)-17-ethylidene-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-2,16-diol
Structure
SMILES: C/C=C1\C(O)CC2C3CC=C4CC(N(C)C)C(O)CC4(C)C3CCC12C
InChI: InChI=1S/C23H37NO2/c1-6-16-20(25)12-18-15-8-7-14-11-19(24(4)5)21(26)13-23(14,3)17(15)9-10-22(16,18)2/h6-7,15,17-21,25-26H,8-13H2,1-5H3/b16-6+
InChIKey: LWZNDYKDUGVSBN-OMCISZLKSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Gentiana macrophylla | Gentiana | Gentianaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Holarrhena pubescens | Holarrhena | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 359.5540000000002
TPSA？: 43.7
MolLogP？: 3.767300000000003
Number of H-Donors: 2
Number of H-Acceptors: 3
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|