Summary

IMPPAT Phytochemical identifier: IMPHY015795

Phytochemical name: Liguloxide

Synonymous chemical names:
liguloxide

External chemical identifiers:
CID:6429300

---

Chemical structure information

SMILES:
C[C@@H]1CC[C@H]2C[C@@]3(C1CC[C@@H]3C)OC2(C)C

InChI:
InChI=1S/C15H26O/c1-10-5-7-12-9-15(16-14(12,3)4)11(2)6-8-13(10)15/h10-13H,5-9H2,1-4H3/t10-,11+,12+,13?,15-/m1/s1

InChIKey:
GXMJXGUEPXEOGR-VJYADGHHSA-N

DeepSMILES:
C[C@@H]CC[C@H]C[C@@]C7CC[C@@H]5C)))))OC5C)C

Functional groups:
COC

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CC2COC3(CCCC3C1)C2

Scaffold Graph/Node level:
C1CC2COC3(CCCC3C1)C2

Scaffold Graph level:
C1CC2CCC3(CCCC3C1)C2

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Oxolanes

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Guaiane sesquiterpenoids

NP-Likeness score: 3.415

---

Chemical structure download