Summary

IMPPAT Phytochemical identifier: IMPHY002971

Phytochemical name: 7-Methyljuglone

Synonymous chemical names:
7-methyljuglone, juglone, 7-methyl

External chemical identifiers:
CID:26905, ChEMBL:CHEMBL430853, ChEBI:8773, ZINC:ZINC000000899749, SureChEMBL:SCHEMBL5904880

---

Chemical structure information

SMILES:
Cc1cc(O)c2c(c1)C(=O)C=CC2=O

InChI:
InChI=1S/C11H8O3/c1-6-4-7-8(12)2-3-9(13)11(7)10(14)5-6/h2-5,14H,1H3

InChIKey:
OZUSCVSONBBWOR-UHFFFAOYSA-N

DeepSMILES:
CcccO)ccc6)C=O)C=CC6=O

Functional groups:
O=C1C=CC(=O)cc1, cO

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=CC(=O)c2ccccc21

Scaffold Graph/Node level:
OC1CCC(O)C2CCCCC12

Scaffold Graph level:
CC1CCC(C)C2CCCCC12

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Naphthalenes

ClassyFire Subclass: Naphthoquinones

NP Classifier Biosynthetic pathway: Polyketides

NP Classifier Superclass: Naphthalenes

NP Classifier Class: Naphthoquinones

NP-Likeness score: 1.431

---

Chemical structure download