FCE 24367
AlkaPlorer ID: AK084455
Synonym: None
IUPAC Name: 5-[(2R,4R,5R,6aS,8S,10R,10aR)-8-[[(1R,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-2-[(2S)-2-hydroxypropyl]-4,10-dimethyl-4,5,6,6a,7,8,10,10a-octahydropyrano[3,4-d][1,3,6]dioxazocin-5-yl]-2-sulfanylidene-1,3-diazinane-4,6-dione
Structure
SMILES: COC1=CC=CC2=C1C(=O)C1=C(O)C3=C(C[C@@](O)(C(C)=O)C[C@H]3O[C@@H]3C[C@@H]4N[C@H](C5C(O)=NC(=S)N=C5O)[C@@H](C)O[C@@H](C[C@H](C)O)O[C@H]4[C@@H](C)O3)C(O)=C1C2=O
InChI: InChI=1S/C38H43N3O14S/c1-13(42)9-22-52-14(2)29(28-35(48)40-37(56)41-36(28)49)39-19-10-23(53-15(3)34(19)55-22)54-21-12-38(50,16(4)43)11-18-25(21)33(47)27-26(31(18)45)30(44)17-7-6-8-20(51-5)24(17)32(27)46/h6-8,13-15,19,21-23,28-29,34,39,42,45,47,50H,9-12H2,1-5H3,(H2,40,41,48,49,56)/t13-,14+,15+,19-,21+,22+,23+,29-,34-,38-/m0/s1
InChIKey: IEDXHYBZZNGNIE-GMICPCRASA-N
Reference
New biosynthetic anthracyclines related to barminomycins incorporating barbiturates in their moiety.
PubChem CID: 139589264
LOTUS: LTS0066086
{NPAtlas: NPA021322
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces peucetius | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 797.8360000000002
TPSA？: 255.48999999999995
MolLogP？: 2.3961
Number of H-Donors: 7
Number of H-Acceptors: 14
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|