N-acetylgitingensine
AlkaPlorer ID: AK033081
Synonym: 'N-acetylgitingensine', 'N-(3alpha,20S)-18-Oxo-18,20-epoxypregn-5-en-3-ylacetamide'
IUPAC Name: N-[(1R,2S,5S,6S,9R,12S,13R,16R)-6,13-dimethyl-8-oxo-7-oxapentacyclo[10.8.0.02,9.05,9.013,18]icos-18-en-16-yl]acetamide
Structure
SMILES: CC(O)=N[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@@H]5[C@H](C)OC(=O)[C@@]54CC[C@@H]32)C1
InChI: InChI=1S/C23H33NO3/c1-13-18-6-7-20-17-5-4-15-12-16(24-14(2)25)8-10-22(15,3)19(17)9-11-23(18,20)21(26)27-13/h4,13,16-20H,5-12H2,1-3H3,(H,24,25)/t13-,16+,17+,18+,19-,20-,22-,23-/m0/s1
InChIKey: MFYNPKUAXIUSHE-IEGXLHPXSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Kibatalia laurifolia | Kibatalia | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 371.5210000000002
TPSA？: 58.89000000000001
MolLogP？: 4.835800000000005
Number of H-Donors: 1
Number of H-Acceptors: 3
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | KB | IC50 | 50000.0 | nM | 10.1021/np200165t |