3,20-Diaminopregn-5-en-18-ol; (3β,20S)-form, N20-Hydroxy, N20-Ac
AlkaPlorer ID: AK295287
Synonym: Holadysenterine
IUPAC Name: N-[1-[3-amino-13-(hydroxymethyl)-10-methyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl]-N-hydroxyacetamide
Structure
SMILES: CC(=O)N(O)C(C)C1CCC2C3CC=C4CC(N)CCC4(C)C3CCC21CO
InChI: InChI=1S/C23H38N2O3/c1-14(25(28)15(2)27)19-6-7-21-18-5-4-16-12-17(24)8-10-22(16,3)20(18)9-11-23(19,21)13-26/h4,14,17-21,26,28H,5-13,24H2,1-3H3
InChIKey: GPRPCDRSJAFGHU-UHFFFAOYSA-N
Reference
Steroidal Alkaloids from Holarrhena antidysenterica (L.) WALL.
PubChem CID: 73318552
CAS: 949087-26-7
LOTUS: LTS0038204
COCONUT: CNP0270986.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Drechslera | Pleosporaceae | Pleosporales | Dothideomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 390.5680000000002
TPSA？: 86.79
MolLogP？: 3.491300000000003
Number of H-Donors: 3
Number of H-Acceptors: 4
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|