Summary

IMPPAT Phytochemical identifier: IMPHY003703

Phytochemical name: (+)-5-Epi-aristolochene

Synonymous chemical names:
5-epi-aristolochene

External chemical identifiers:
CID:5460659, ChEBI:23925, ZINC:ZINC000059778440

---

Chemical structure information

SMILES:
CC(=C)[C@@H]1CC=C2[C@@](C1)(C)[C@H](C)CCC2

InChI:
InChI=1S/C15H24/c1-11(2)13-8-9-14-7-5-6-12(3)15(14,4)10-13/h9,12-13H,1,5-8,10H2,2-4H3/t12-,13-,15-/m1/s1

InChIKey:
YONHOSLUBQJXPR-UMVBOHGHSA-N

DeepSMILES:
CC=C)[C@@H]CC=C[C@@]C6)C)[C@H]C)CCC6

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

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=C2CCCCC2CCC1

Scaffold Graph/Node level:
C1CCC2CCCCC2C1

Scaffold Graph level:
C1CCC2CCCCC2C1

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Sesquiterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Eremophilane sesquiterpenoids

NP-Likeness score: 2.675

---

Chemical structure download