N-[[3,4-Dihydro-3S-hydroxy-2S-methyl-2-(4'R-methyl-3'S-pentenyl)-2H-1-benzopyran-6-yl]carbonyl]-threonine
AlkaPlorer ID: AK009035
Synonym: "N-3,4-dihydro-3S-hydroxy-2S-methyl-2-(4'R-methyl-3'S-pentenyl)-2H-1-benzopyran-6-ylcarbonyl-threonine", 'Xiamenmycin', 'Xiamenmycin A'
IUPAC Name: (3R)-3-hydroxy-2-[[(2S,3S)-3-hydroxy-2-methyl-2-(4-methylpent-3-enyl)-3,4-dihydrochromene-6-carbonyl]amino]butanoic acid
Structure
SMILES: CC(C)=CCC[C@]1(C)OC2=CC=C(C(O)=NC(C(=O)O)[C@@H](C)O)C=C2C[C@@H]1O
InChI: InChI=1S/C21H29NO6/c1-12(2)6-5-9-21(4)17(24)11-15-10-14(7-8-16(15)28-21)19(25)22-18(13(3)23)20(26)27/h6-8,10,13,17-18,23-24H,5,9,11H2,1-4H3,(H,22,25)(H,26,27)/t13-,17+,18?,21+/m1/s1
InChIKey: JEQRSDJVWOFRBQ-FKQLSRNESA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces xiamenensis | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 391.46400000000017
TPSA？: 119.58
MolLogP？: 2.6261000000000005
Number of H-Donors: 4
Number of H-Acceptors: 5
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|