Molecule

3,4-Dihydro-3-hydroxy-2-methyl-2-(4-methyl-3-pentenyl)-2H-1-benzopyran-6-carboxylic acid; (2R,3S)-form, L-Threonine amide

AlkaPlorer ID: AK295807

Synonym: Xiamenmycin A

IUPAC Name: 3-hydroxy-2-[[3-hydroxy-2-methyl-2-(4-methylpent-3-enyl)-3,4-dihydrochromene-6-carbonyl]amino]butanoic acid

Structure

SMILES: CC(C)=CCCC1(C)OC2=CC=C(C(O)=NC(C(=O)O)C(C)O)C=C2CC1O

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)

InChIKey: JEQRSDJVWOFRBQ-UHFFFAOYSA-N

Reference

Identification and Characterization of an Anti-Fibrotic Benzopyran Compound Isolated from Mangrove-Derived Streptomyces xiamenensis

PubChem CID: 9886749

LOTUS: LTS0073145

COCONUT: CNP0144438.2

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