3-Aminopregna-4,6-dien-18,20-olide; N-Me, N-Ac
AlkaPlorer ID: AK287246
Synonym: Kibalaurifoline
IUPAC Name: N-(6,13-dimethyl-8-oxo-7-oxapentacyclo[10.8.0.02,9.05,9.013,18]icosa-17,19-dien-16-yl)-N-methylacetamide
Structure
SMILES: CC(=O)N(C)C1C=C2C=CC3C(CCC45C(=O)OC(C)C4CCC35)C2(C)CC1
InChI: InChI=1S/C24H33NO3/c1-14-19-7-8-21-18-6-5-16-13-17(25(4)15(2)26)9-11-23(16,3)20(18)10-12-24(19,21)22(27)28-14/h5-6,13-14,17-21H,7-12H2,1-4H3
InChIKey: CLPGEJYIOBNCEC-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Kibatalia laurifolia | Kibatalia | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 383.5320000000002
TPSA？: 46.61
MolLogP？: 4.113700000000003
Number of H-Donors: 0
Number of H-Acceptors: 3
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|