Summary

IMPPAT Phytochemical identifier: IMPHY014250

Phytochemical name: 1,4-Dihydroxy-5-methoxy-2-methylanthracene-9,10-dione

Synonymous chemical names:
1,4-dihydroxy-2-methyl-5-(or 8)-methoxyanthraquinone, 1,4-dihydroxy-2-methyl-5-methoxyanthraquinone

External chemical identifiers:
CID:12714658

---

Chemical structure information

SMILES:
COc1cccc2c1C(=O)c1c(C2=O)c(O)c(cc1O)C

InChI:
InChI=1S/C16H12O5/c1-7-6-9(17)12-13(14(7)18)15(19)8-4-3-5-10(21-2)11(8)16(12)20/h3-6,17-18H,1-2H3

InChIKey:
YTYGCAMPADDVCW-UHFFFAOYSA-N

DeepSMILES:
COcccccc6C=O)ccC6=O))cO)ccc6O)))C

Functional groups:
cC(c)=O, cO, 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: 1.193

---

Chemical structure download