Summary

IMPPAT Phytochemical identifier: IMPHY010131

Phytochemical name: 1,3,5-Trihydroxy-6,7-dimethoxy-2-methylanthraquinone

Synonymous chemical names:
1,3,5-trihydroxy-6,7-dimethoxy-2-methylanthraquinone

External chemical identifiers:
CID:131751404, ChEBI:174452, ZINC:ZINC000014647381

---

Chemical structure information

SMILES:
COc1c(OC)cc2c(c1O)C(=O)c1c(C2=O)c(O)c(c(c1)O)C

InChI:
InChI=1S/C17H14O7/c1-6-9(18)4-7-11(13(6)19)15(21)8-5-10(23-2)17(24-3)16(22)12(8)14(7)20/h4-5,18-19,22H,1-3H3

InChIKey:
RMPPFTPDOBBBQE-UHFFFAOYSA-N

DeepSMILES:
COccOC))cccc6O))C=O)ccC6=O))cO)ccc6)O))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: 1.42

---

Chemical structure download