20-Epikibataline
AlkaPlorer ID: AK142371
Synonym: '20-epi-Kibataline'
IUPAC Name: (1R,2S,5S,6R,9R,12S,13R,16R)-16-(dimethylamino)-6,13-dimethyl-7-oxapentacyclo[10.8.0.02,9.05,9.013,18]icos-18-en-8-one
Structure
SMILES: C[C@H]1OC(=O)[C@]23CC[C@H]4[C@@H](CC=C5C[C@H](N(C)C)CC[C@@]54C)[C@@H]2CC[C@H]13
InChI: InChI=1S/C23H35NO2/c1-14-18-7-8-20-17-6-5-15-13-16(24(3)4)9-11-22(15,2)19(17)10-12-23(18,20)21(25)26-14/h5,14,16-20H,6-13H2,1-4H3/t14-,16-,17-,18-,19+,20+,22+,23+/m1/s1
InChIKey: AENSHGKORGDOBI-SAVHIDLTSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Kibatalia laurifolia | Kibatalia | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 357.5380000000002
TPSA？: 29.54
MolLogP？: 4.421000000000004
Number of H-Donors: 0
Number of H-Acceptors: 3
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|