Verazine; 22S,N-Dihydro, O-(4-hydroxy-3,5-dimethylbenzoyl)
AlkaPlorer ID: AK317490
Synonym: Allumine A
IUPAC Name: [10,13-dimethyl-17-[1-(5-methylpiperidin-2-yl)ethyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 4-hydroxy-3,5-dimethylbenzoate
Structure
SMILES: CC1=C(O)C(C)=CC(C(=O)OC2CCC3(C)C(=CCC4C3CCC3(C)C(C(C)C5CCC(C)CN5)CCC43)C2)=C1
InChI: InChI=1S/C36H53NO3/c1-21-7-12-32(37-20-21)24(4)29-10-11-30-28-9-8-26-19-27(13-15-35(26,5)31(28)14-16-36(29,30)6)40-34(39)25-17-22(2)33(38)23(3)18-25/h8,17-18,21,24,27-32,37-38H,7,9-16,19-20H2,1-6H3
InChIKey: KMPKMCXSBSQVHX-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Allium victorialis | Allium | Amaryllidaceae | Asparagales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 547.8240000000004
TPSA？: 58.56
MolLogP？: 8.137640000000008
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|