Summary

IMPPAT Phytochemical identifier: IMPHY007191

Phytochemical name: 2-Methylanthraquinone

Synonymous chemical names:
2-methyl-anthraquinone, 2-methyl-anthraquinone (tectoquinone), 2-methylanthraquinone, tectoquinone

External chemical identifiers:
CID:6773, ChEMBL:CHEMBL21745, ChEBI:9427, ZINC:ZINC000003845299, FDASRS:Q9P233HWAJ, SureChEMBL:SCHEMBL36822, MolPort-001-770-304

---

Chemical structure information

SMILES:
Cc1ccc2c(c1)C(=O)c1c(C2=O)cccc1

InChI:
InChI=1S/C15H10O2/c1-9-6-7-12-13(8-9)15(17)11-5-3-2-4-10(11)14(12)16/h2-8H,1H3

InChIKey:
NJWGQARXZDRHCD-UHFFFAOYSA-N

DeepSMILES:
Ccccccc6)C=O)ccC6=O))cccc6

Functional groups:
cC(c)=O

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1c2ccccc2C(=O)c2ccccc21

Scaffold Graph/Node level:
OC1C2CCCCC2C(O)C2CCCCC12

Scaffold Graph level:
CC1C2CCCCC2C(C)C2CCCCC12

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Anthracenes

ClassyFire Subclass: Anthraquinones

NP Classifier Biosynthetic pathway: Polyketides

NP Classifier Superclass: Polycyclic aromatic polyketides

NP Classifier Class: Anthraquinones and anthrones

NP-Likeness score: -0.011

---

Chemical structure download