Summary

IMPPAT Phytochemical identifier: IMPHY001748

Phytochemical name: Aethiopinone

Synonymous chemical names:
aethiopinone

External chemical identifiers:
CID:157301

---

Chemical structure information

SMILES:
CC(=C)CCCc1c(C)ccc2c1C(=O)C(=O)C(=C2)C(C)C

InChI:
InChI=1S/C20H24O2/c1-12(2)7-6-8-16-14(5)9-10-15-11-17(13(3)4)19(21)20(22)18(15)16/h9-11,13H,1,6-8H2,2-5H3

InChIKey:
CAAYVGWMDZSZAD-UHFFFAOYSA-N

DeepSMILES:
CC=C)CCCccC)cccc6C=O)C=O)C=C6)CC)C

Functional groups:
C=C(C)C, CC1=CccC(=O)C1=O

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=Cc2ccccc2C1=O

Scaffold Graph/Node level:
OC1CCC2CCCCC2C1O

Scaffold Graph level:
CC1CCC2CCCCC2C1C

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Naphthalenes

ClassyFire Subclass: Naphthoquinones

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Diterpenoids

NP Classifier Class: Secoabietane diterpenoids

NP-Likeness score: 1.564

---

Chemical structure download