Kalihinol J
AlkaPlorer ID: AK043564
Synonym: None
IUPAC Name: N-[(1R,2R,4aS,5R,8S,8aS)-8-[(2R,5S)-5-chloro-2,6,6-trimethyloxan-2-yl]-2-hydroxy-5-isothiocyanato-2,5-dimethyl-1,3,4,4a,6,7,8,8a-octahydronaphthalen-1-yl]formamide
Structure
SMILES: CC1(C)O[C@@](C)([C@H]2CC[C@@](C)(N=C=S)[C@H]3CC[C@@](C)(O)[C@H](N=CO)[C@@H]32)CC[C@@H]1Cl
InChI: InChI=1S/C22H35ClN2O3S/c1-19(2)16(23)8-11-22(5,28-19)15-6-9-20(3,25-13-29)14-7-10-21(4,27)18(17(14)15)24-12-26/h12,14-18,27H,6-11H2,1-5H3,(H,24,26)/t14-,15-,16-,17-,18+,20+,21+,22+/m0/s1
InChIKey: JJCHVOBKBZMVBH-JJAPNAJXSA-N
Reference
Kalihinols from two Acanthella cavernosa sponges: inhibitors of bacterial folate biosynthesis
PubChem CID: 10003501
LOTUS: LTS0159557
NPASS: NPC67116
{NPAtlas: NPA013521
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Acanthella cavernosa | Acanthella | Axinellidae | Axinellida | Demospongiae | Porifera | Metazoa | Eukaryota |
| None | Bacillus | Bacillidae | Phasmatodea | Insecta | Arthropoda | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 443.0530000000001
TPSA？: 74.41
MolLogP？: 4.9451000000000045
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Nippostrongylus brasiliensis | Nippostrongylus brasiliensis | Activity | None | None | 10.1021/np50073a002 |