Summary

IMPPAT Phytochemical identifier: IMPHY015640

Phytochemical name: (E)-10-Hydroxy-4,10-dimethyl-4,11-dodecadien-2-one

Synonymous chemical names:
echinolone

External chemical identifiers:
CID:6441887, SureChEMBL:SCHEMBL4135381

---

Chemical structure information

SMILES:
C=CC(CCCC/C=C(/CC(=O)C)C)(O)C

InChI:
InChI=1S/C14H24O2/c1-5-14(4,16)10-8-6-7-9-12(2)11-13(3)15/h5,9,16H,1,6-8,10-11H2,2-4H3/b12-9+

InChIKey:
APPMNDGEMXRQPR-FMIVXFBMSA-N

DeepSMILES:
C=CCCCCC/C=C/CC=O)C)))C)))))))O)C

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

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Alcohols and polyols

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Acyclic monoterpenoids

NP-Likeness score: 2.585

---

Chemical structure download