Molecule

3-amino-4,7-dihydroxy-8-methyl coumarin

AlkaPlorer ID: AK003293

Synonym: 'AC1NQZIK'

IUPAC Name: 3-amino-4,7-dihydroxy-8-methylchromen-2-one

SMILES: CC1=C(O)C=CC2=C1OC(=O)C(N)=C2O

InChI: InChI=1S/C10H9NO4/c1-4-6(12)3-2-5-8(13)7(11)10(14)15-9(4)5/h2-3,12-13H,11H2,1H3

InChIKey: RYDWGVPXXFYEQD-UHFFFAOYSA-N

PubChem CID: 54691342

CAS: 56971-02-9

LOTUS: LTS0078450

SuperNatural Ⅲ: SN0338460

COCONUT: CNP0343049

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Apis cerana	Apis	Apidae	Hymenoptera	Insecta	Arthropoda	Metazoa	Eukaryota

Molecule Weight: 207.185

TPSA？: 96.69

MolLogP？: 1.09482

Number of H-Donors: 3

Number of H-Acceptors: 5

RingCount: 2

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi

AKRT ID	Reaction	Reaction Link ID
AKRT005326	CC(C)=CCc1cc(C(=O)O)ccc1O.Cc1c(O)ccc2c(O)c(N)c(=O)oc12>>CC(C)=CCc1cc(C(=O)Nc2c(O)c3ccc(O)c(C)c3oc2=O)ccc1O	MNXR132747
AKRT014797	Cc1c(C(=O)Nc2c(O)c3ccc(O)c(C)c3oc2=O)c[nH]c1C(=O)Nc1c(O)c2ccc(O)c(C)c2oc1=O>>Cc1c(O)ccc2c(O)c(N)c(=O)oc12	MNXR134744
AKRT014800	Cc1c(C(=O)O)c[nH]c1C(=O)O.Cc1c(O)ccc2c(O)c(N)c(=O)oc12>>Cc1c(C(=O)O)c[nH]c1C(=O)Nc1c(O)c2ccc(O)c(C)c2oc1=O	MNXR134743
AKRT014822	Cc1c(O)ccc2c(O)c(N)c(=O)oc12.CC(C)=CCc1cc(C(=O)O)ccc1O>>CC(C)=CCc1cc(C(=O)Nc2c(O)c3ccc(O)c(C)c3oc2=O)ccc1O	enzymemap_90168
AKRT014823	Cc1c(O)ccc2c(O)c(N)c(=O)oc12>>*SC(=O)[C@@H](N)C(=O)c1ccc(O)c(C)c1O	MNXR135527