Summary

IMPPAT Phytochemical identifier: IMPHY012043

Phytochemical name: 1,8-Heptadecadiene-4,6-diyne-3,10-diol

Synonymous chemical names:
heptadeca-1,8-dien-4,6-diyne-3,10-diol

External chemical identifiers:
CID:4557

---

Chemical structure information

SMILES:
CCCCCCCC(C=CC#CC#CC(C=C)O)O

InChI:
InChI=1S/C17H24O2/c1-3-5-6-7-11-14-17(19)15-12-9-8-10-13-16(18)4-2/h4,12,15-19H,2-3,5-7,11,14H2,1H3

InChIKey:
DSVMWGREWREVQQ-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCC=CC#CC#CCC=C))O))))))))O

Functional groups:
C=CC, CC#CC#CC=CC, CO

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Fatty acyls

ClassyFire Subclass: Fatty alcohols

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Fatty alcohols

NP-Likeness score: 2.924

---

Chemical structure download