Delavidine
AlkaPlorer ID: AK294735
Synonym: 21-(3,4-Dihydro-3-methyl-2H-pyrrol-5-yl)-3-hydroxy-20-methylpregnane-6,12,21-trione, 23,26-Epimino-3-hydroxycholest-23(N)-ene-6,12,22-trione
IUPAC Name: 3-hydroxy-10,13-dimethyl-17-[1-(3-methyl-3,4-dihydro-2H-pyrrol-5-yl)-1-oxopropan-2-yl]-2,3,4,5,7,8,9,11,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-6,12-dione
Structure
SMILES: CC1CN=C(C(=O)C(C)C2CCC3C4CC(=O)C5CC(O)CCC5(C)C4CC(=O)C23C)C1
InChI: InChI=1S/C27H39NO4/c1-14-9-22(28-13-14)25(32)15(2)18-5-6-19-17-11-23(30)21-10-16(29)7-8-26(21,3)20(17)12-24(31)27(18,19)4/h14-21,29H,5-13H2,1-4H3
InChIKey: WKWLRYIJQILBLO-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Fritillaria delavayi | Fritillaria | Liliaceae | Liliales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 441.6120000000003
TPSA？: 83.80000000000001
MolLogP？: 4.050200000000004
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|