Summary

IMPPAT Phytochemical identifier: IMPHY017847

Phytochemical name: Selina-4,7-diene

Synonymous chemical names:
selina-4,7-diene

External chemical identifiers:
CID:91748132

---

Chemical structure information

SMILES:
CC1=C2CC(=CC[C@]2(CCC1)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/h7,11H,5-6,8-10H2,1-4H3/t15-/m1/s1

InChIKey:
CEBQMQLIBDRBKA-OAHLLOKOSA-N

DeepSMILES:
CC=CCC=CC[C@]6CCC%10)))C))))CC)C

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

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CCC2CCCC=C2C1

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: 2.37

---

Chemical structure download