Summary

IMPPAT Phytochemical identifier: IMPHY017960

Phytochemical name: Eudesmadiene

Synonymous chemical names:
eudesmadiene

Chemical structure information

SMILES:
CC1=CC=C[C@]2([C@@H]1C[C@@H](CC2)C(C)C)C

InChI:
InChI=1S/C15H24/c1-11(2)13-7-9-15(4)8-5-6-12(3)14(15)10-13/h5-6,8,11,13-14H,7,9-10H2,1-4H3/t13-,14-,15-/m1/s1

InChIKey:
ZEIUHSJMKBDQPK-RBSFLKMASA-N

DeepSMILES:
CC=CC=C[C@][C@@H]6C[C@@H]CC6))CC)C)))))C

Functional groups:
CC1=CC=CCC1

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC2CCCCC2C=C1

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: Eudesmane sesquiterpenoids

NP-Likeness score: 2.773

---

Chemical structure download