cytotrienin A
AlkaPlorer ID: AK006904
Synonym: 'Cytotrienin A', 'Cytotrienin I'
IUPAC Name: [(5R,6E,8E,10E,13S,14R,15R,16Z)-15,22,24-trihydroxy-5-methoxy-14,16-dimethyl-3-oxo-2-azabicyclo[18.3.1]tetracosa-1(23),6,8,10,16,20(24),21-heptaen-13-yl] 1-(cyclohexene-1-carbonylamino)cyclopropane-1-carboxylate
Structure
SMILES: CO[C@H]1/C=C/C=C/C=C/C[C@H](OC(=O)C2(N=C(O)C3=CCCCC3)CC2)[C@H](C)[C@@H](O)/C(C)=C\CCC2=C(O)C(=CC(O)=C2)N=C(O)C1
InChI: InChI=1S/C37H48N2O8/c1-24-13-12-16-27-21-28(40)22-30(34(27)43)38-32(41)23-29(46-3)17-10-5-4-6-11-18-31(25(2)33(24)42)47-36(45)37(19-20-37)39-35(44)26-14-8-7-9-15-26/h4-6,10-11,13-14,17,21-22,25,29,31,33,40,42-43H,7-9,12,15-16,18-20,23H2,1-3H3,(H,38,41)(H,39,44)/b5-4+,11-6+,17-10+,24-13-/t25-,29-,31-,33-/m0/s1
InChIKey: HNVKTRONBDHSPT-QETCNUOWSA-N
Reference
Isolation of new polyketide metabolites, linearolides A and B, from Streptomyces sp. RK95-74
PubChem CID: 11966097
LOTUS: LTS0176970
NPASS: NPC316423
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | None | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 648.7970000000004
TPSA？: 161.4
MolLogP？: 6.94040000000001
Number of H-Donors: 5
Number of H-Acceptors: 8
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | HL-60 | ED50 | 7.7 | uM | 10.1016/j.ejmech.2022.114815 |
| Homo sapiens | HL-60 | IC50 | 7.7 | nM | 10.1016/j.ejmech.2022.114815 |
| Homo sapiens | WI-38 | IC50 | 7.7 | nM | 10.1016/j.ejmech.2022.114815 |
| Pyricularia oryzae | Pyricularia oryzae | MIC | 12.5 | ug.mL-1 | 10.1016/j.ejmech.2022.114815 |