Coumabiocin A
AlkaPlorer ID: AK024537
Synonym: None
IUPAC Name: [(3R,4S,5R,6R)-5-hydroxy-6-[4-hydroxy-3-[[2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-5-carbonyl]amino]-8-methyl-2-oxochromen-7-yl]oxy-3-methoxy-2,2-dimethyloxan-4-yl] carbamate
Structure
SMILES: CO[C@@H]1[C@@H](OC(N)=O)[C@@H](O)[C@H](OC2=CC=C3C(O)=C(NC(=O)C4=CC=C5OC(C(C)(C)O)CC5=C4)C(=O)OC3=C2C)OC1(C)C
InChI: InChI=1S/C31H36N2O12/c1-13-17(42-28-22(35)24(44-29(32)38)25(40-6)31(4,5)45-28)10-8-16-21(34)20(27(37)43-23(13)16)33-26(36)14-7-9-18-15(11-14)12-19(41-18)30(2,3)39/h7-11,19,22,24-25,28,34-35,39H,12H2,1-6H3,(H2,32,38)(H,33,36)/t19?,22-,24+,25-,28-/m1/s1
InChIKey: QABCYUIASODPGV-AMAVTPQFSA-N
Reference
Coumabiocins A−F, Aminocoumarins from an Organic Extract of <i>Streptomyces</i> sp. L-4-4
PubChem CID: 54734317
LOTUS: LTS0022011
NPASS: NPC314213
{NPAtlas: NPA009205
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces sp. L-4-4 | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 628.6310000000002
TPSA？: 209.24
MolLogP？: 2.48722
Number of H-Donors: 5
Number of H-Acceptors: 12
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Streptomyces | Streptomyces | IZ | 13.0 | mm | 10.1021/np900843b |
| Streptomyces | Streptomyces | IZ | nan | None | 10.1021/np900843b |