Summary

IMPPAT Phytochemical identifier: IMPHY012168

Phytochemical name: (1S,2S,6S,7R,8R)-1,3-dimethyl-8-propan-2-yltricyclo[4.4.0.02,7]dec-3-ene

Synonymous chemical names:
alpha-ylangene, alpha-ylangene*, aylangene, ylangene, alpha, α- ylangene, α-ylangene

External chemical identifiers:
CID:101607926, ZINC:ZINC000100899689

---

Chemical structure information

SMILES:
CC([C@H]1CC[C@]2([C@@H]3[C@@H]1[C@H]2C(=CC3)C)C)C

InChI:
InChI=1S/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(15)13(11)12/h5,9,11-14H,6-8H2,1-4H3/t11-,12+,13-,14-,15+/m1/s1

InChIKey:
VLXDPFLIRFYIME-KHMAMNHCSA-N

DeepSMILES:
CC[C@H]CC[C@][C@@H][C@@H]6[C@H]4C=CC6))C)))))C)))))C

Functional groups:
CC=C(C)C

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC2C3CCCC2C3C1

Scaffold Graph/Node level:
C1CC2C3CCCC2C3C1

Scaffold Graph level:
C1CC2C3CCCC2C3C1

---

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: Copaane sesquiterpenoids

NP-Likeness score: 3.167

---

Chemical structure download