Summary

IMPPAT Phytochemical identifier: IMPHY016057

Phytochemical name: (-)-Isosativene

Synonymous chemical names:
(-)-isosativene

External chemical identifiers:
CID:16217514, ZINC:ZINC000060290573

---

Chemical structure information

SMILES:
CC([C@@H]1CC[C@]2([C@H]3[C@@H]1C[C@H](C3)C2=C)C)C

InChI:
InChI=1S/C15H24/c1-9(2)12-5-6-15(4)10(3)11-7-13(12)14(15)8-11/h9,11-14H,3,5-8H2,1-2,4H3/t11?,12-,13+,14+,15+/m0/s1

InChIKey:
CGZBLYYTRIVVTD-ADSKKKOISA-N

DeepSMILES:
CC[C@@H]CC[C@][C@H][C@@H]6C[C@H]C5)C6=C))))))C)))))C

Functional groups:
C=C(C)C

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1C2CC3CCCC1C3C2

Scaffold Graph/Node level:
CC1C2CC3CCCC1C3C2

Scaffold Graph level:
CC1C2CC3CCCC1C3C2

---

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: Sativane sesquiterpenoids

NP-Likeness score: 2.963

---

Chemical structure download