Summary
SMILES: OCc1ccc2c(c1)C(=O)c1c(C2=O)cccc1InChI: InChI=1S/C15H10O3/c16-8-9-5-6-12-13(7-9)15(18)11-4-2-1-3-10(11)14(12)17/h1-7,16H,8H2InChIKey: JYKHAJGLEVKEAA-UHFFFAOYSA-N
DeepSMILES: OCcccccc6)C=O)ccC6=O))cccc6
Scaffold Graph/Node/Bond level: O=C1c2ccccc2C(=O)c2ccccc21
Scaffold Graph/Node level: OC1C2CCCCC2C(O)C2CCCCC12
Scaffold Graph level: CC1C2CCCCC2C(C)C2CCCCC12
Functional groups: CO; cC(c)=O
Chemical classification
ClassyFire Kingdom: Organic compounds
ClassyFire Superclass: BenzenoidsClassyFire Class: Anthracenes
ClassyFire Subclass: Anthraquinones
NP Classifier Biosynthetic pathway: Polyketides
NP Classifier Superclass: Polycyclic aromatic polyketides
NP Classifier Class: Anthraquinones and anthrones
Synonymous chemical names:2-(hydroxymethyl)-anthraquinone, 2-(hydroxymethyl)anthraquinone, 2-hydroxymethyl anthraquinone, 2-hydroxymethyl-anthraquinone
External chemical identifiers:CID:87014; ChEMBL:CHEMBL21049; ChEBI:28649; ZINC:ZINC000003861620; SureChEMBL:SCHEMBL41511; MolPort-003-928-146
Chemical structure download