Summary

IMPPAT Phytochemical identifier: IMPHY013193

Phytochemical name: 1,3,5,8-Tetrahydroxy-6-methoxy-2-methylanthraquinone

Synonymous chemical names:
1,3,5,8-tetrahydroxy-6-methoxy (or 7-methoxy)-2 methylanthraquinone, 1,3,5,8-tetrahydroxy-6-methoxy-2-methylanthraquinone

External chemical identifiers:
CID:14285022, ChEBI:175051, ZINC:ZINC000014647503

---

Chemical structure information

SMILES:
COc1cc(O)c2c(c1O)C(=O)c1c(C2=O)c(O)c(c(c1)O)C

InChI:
InChI=1S/C16H12O7/c1-5-7(17)3-6-10(13(5)19)16(22)11-8(18)4-9(23-2)15(21)12(11)14(6)20/h3-4,17-19,21H,1-2H3

InChIKey:
WYAGLAMLQQEAEL-UHFFFAOYSA-N

DeepSMILES:
COcccO)ccc6O))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: 1.798

---

Chemical structure download