Summary

IMPPAT Phytochemical identifier: IMPHY004752

Phytochemical name: 2-Methoxyanthraquinone

Synonymous chemical names:
2-methoxyanthraquinone

External chemical identifiers:
CID:18646, ChEMBL:CHEMBL2332985, ZINC:ZINC000014442973, SureChEMBL:SCHEMBL222927

---

Chemical structure information

SMILES:
COc1ccc2c(c1)C(=O)c1c(C2=O)cccc1

InChI:
InChI=1S/C15H10O3/c1-18-9-6-7-12-13(8-9)15(17)11-5-3-2-4-10(11)14(12)16/h2-8H,1H3

InChIKey:
APLQXUAECQNQFE-UHFFFAOYSA-N

DeepSMILES:
COcccccc6)C=O)ccC6=O))cccc6

Functional groups:
cC(c)=O, cOC

---

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: 0.142

---

Chemical structure download