Summary

IMPPAT Phytochemical identifier: IMPHY015607

Phytochemical name: Dehydrosesquicineole

Synonymous chemical names:
dehydro-sesquicineol, dehydro-sesquicineole

External chemical identifiers:
CID:6430797

---

Chemical structure information

SMILES:
CC(=CCCC1(C)O[C@]2(C)CC[C@@H]1C=C2)C

InChI:
InChI=1S/C15H24O/c1-12(2)6-5-9-15(4)13-7-10-14(3,16-15)11-8-13/h6-7,10,13H,5,8-9,11H2,1-4H3/t13-,14-,15?/m0/s1

InChIKey:
VLUGOADEEDGFLB-ZYOSVBKOSA-N

DeepSMILES:
CC=CCCCC)O[C@]C)CC[C@@H]6C=C6)))))))))))C

Functional groups:
CC=C(C)C, CC=CC, COC

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC2CCC1CO2

Scaffold Graph/Node level:
C1CC2CCC1CO2

Scaffold Graph level:
C1CC2CCC1CC2

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Pyrans

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Bisabolane sesquiterpenoids

NP-Likeness score: 3.038

---

Chemical structure download