3,20-Diamino-18-hydroxypregn-5-ene-11,16-dione; (3β,20S)-form
AlkaPlorer ID: AK295158
Synonym: Holarricine, 11,16-Dioxoholarrhimine
IUPAC Name: 3-amino-17-(1-aminoethyl)-13-(hydroxymethyl)-10-methyl-2,3,4,7,8,9,12,14,15,17-decahydro-1H-cyclopenta[a]phenanthrene-11,16-dione
Structure
SMILES: CC(N)C1C(=O)CC2C3CC=C4CC(N)CCC4(C)C3C(=O)CC21CO
InChI: InChI=1S/C21H32N2O3/c1-11(22)18-16(25)8-15-14-4-3-12-7-13(23)5-6-20(12,2)19(14)17(26)9-21(15,18)10-24/h3,11,13-15,18-19,24H,4-10,22-23H2,1-2H3
InChIKey: FAXPUMXEROXVIL-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Holarrhena | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 360.4980000000001
TPSA？: 106.41
MolLogP？: 1.5703
Number of H-Donors: 3
Number of H-Acceptors: 5
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|