Coumabiocin E
AlkaPlorer ID: AK020966
Synonym: None
IUPAC Name: [(3R,4S,5R,6R)-5-hydroxy-6-[4-hydroxy-3-[[4-hydroxy-3-(2-hydroxy-3-methylbut-3-enyl)benzoyl]amino]-8-methyl-2-oxochromen-7-yl]oxy-3-methoxy-2,2-dimethyloxan-4-yl] carbamate
Structure
SMILES: C=C(C)C(O)CC1=CC(C(=O)NC2=C(O)C3=CC=C(O[C@@H]4OC(C)(C)[C@H](OC)[C@@H](OC(N)=O)[C@H]4O)C(C)=C3OC2=O)=CC=C1O
InChI: InChI=1S/C31H36N2O12/c1-13(2)19(35)12-16-11-15(7-9-18(16)34)27(38)33-21-22(36)17-8-10-20(14(3)24(17)43-28(21)39)42-29-23(37)25(44-30(32)40)26(41-6)31(4,5)45-29/h7-11,19,23,25-26,29,34-37H,1,12H2,2-6H3,(H2,32,40)(H,33,38)/t19?,23-,25+,26-,29-/m1/s1
InChIKey: NXIHCVXNQGOJKR-ORVJENOTSA-N
Reference
Coumabiocins A−F, Aminocoumarins from an Organic Extract of <i>Streptomyces</i> sp. L-4-4
PubChem CID: 54734321
LOTUS: LTS0234908
NPASS: NPC314025
{NPAtlas: NPA000813
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: 628.6310000000003
TPSA？: 220.24
MolLogP？: 2.5979200000000007
Number of H-Donors: 6
Number of H-Acceptors: 12
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Streptomyces | Streptomyces | IZ | 11.0 | mm | 10.1021/np900843b |
| Streptomyces | Streptomyces | IZ | nan | None | 10.1021/np900843b |