Comabiocin B
AlkaPlorer ID: AK002680
Synonym: None
IUPAC Name: [(3R,4S,5R,6R)-5-hydroxy-6-[4-hydroxy-8-methyl-2-oxo-3-[(2-propan-2-yl-2,3-dihydro-1-benzofuran-5-carbonyl)amino]chromen-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)CC5=C4)C(=O)OC3=C2C)OC1(C)C
InChI: InChI=1S/C31H36N2O11/c1-13(2)20-12-16-11-15(7-9-19(16)40-20)27(36)33-21-22(34)17-8-10-18(14(3)24(17)42-28(21)37)41-29-23(35)25(43-30(32)38)26(39-6)31(4,5)44-29/h7-11,13,20,23,25-26,29,34-35H,12H2,1-6H3,(H2,32,38)(H,33,36)/t20?,23-,25+,26-,29-/m1/s1
InChIKey: YNRLZXZXAKJHIR-KJNXQIJGSA-N
Reference
Coumabiocins A−F, Aminocoumarins from an Organic Extract of <i>Streptomyces</i> sp. L-4-4
PubChem CID: 54734318
LOTUS: LTS0196768
NPASS: NPC315913
{NPAtlas: NPA009075
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: 612.6320000000002
TPSA？: 189.01
MolLogP？: 3.372320000000003
Number of H-Donors: 4
Number of H-Acceptors: 11
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Streptomyces | Streptomyces | IZ | 10.0 | mm | 10.1021/np900843b |
| Streptomyces | Streptomyces | IZ | 12.0 | mm | 10.1021/np900843b |
| Streptomyces | Streptomyces | IZ | 14.0 | mm | 10.1021/np900843b |
| Streptomyces | Streptomyces | IZ | nan | None | 10.1021/np900843b |