Summary

IMPPAT Phytochemical identifier: IMPHY013609

Phytochemical name: Hypacrone

Synonymous chemical names:
hypacrone

External chemical identifiers:
CID:101297664, ZINC:ZINC000085916682

---

Chemical structure information

SMILES:
CC(=O)C1(CC1)/C(=CC1=CC(=O)C(C1)(C)C)/C

InChI:
InChI=1S/C15H20O2/c1-10(15(5-6-15)11(2)16)7-12-8-13(17)14(3,4)9-12/h7-8H,5-6,9H2,1-4H3/b10-7-

InChIKey:
QZJJJZCOOVXKLT-YFHOEESVSA-N

DeepSMILES:
CC=O)CCC3))/C=CC=CC=O)CC5)C)C))))))/C

Functional groups:
C/C(C)=CC1=CC(=O)CC1, CC(C)=O

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=C(C=CC2CC2)CC1

Scaffold Graph/Node level:
OC1CCC(CCC2CC2)C1

Scaffold Graph level:
CC1CCC(CCC2CC2)C1

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Carbonyl compounds

NP Classifier Biosynthetic pathway: Terpenoids

NP-Likeness score: 1.677

---

Chemical structure download