Summary

IMPPAT Phytochemical identifier: IMPHY009352

Phytochemical name: Anisoxide

Synonymous chemical names:
anisoxide

External chemical identifiers:
CID:12306853

---

Chemical structure information

SMILES:
C/C=C/c1ccc2c(c1)C(C)C(O2)(C)C

InChI:
InChI=1S/C14H18O/c1-5-6-11-7-8-13-12(9-11)10(2)14(3,4)15-13/h5-10H,1-4H3/b6-5+

InChIKey:
YXEPEHFXXORWGP-AATRIKPKSA-N

DeepSMILES:
C/C=C/cccccc6)CC)CO5)C)C

Functional groups:
c/C=C/C, cOC

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2c(c1)CCO2

Scaffold Graph/Node level:
C1CCC2OCCC2C1

Scaffold Graph level:
C1CCC2CCCC2C1

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Coumarans

NP Classifier Biosynthetic pathway: Terpenoids

NP-Likeness score: 1.612

---

Chemical structure download