Summary

IMPPAT Phytochemical identifier: IMPHY014512

Phytochemical name: beta-Duprezianane

Synonymous chemical names:
β-duprezianene

External chemical identifiers:
CID:91750164, ZINC:ZINC000231212503

---

Chemical structure information

SMILES:
C=C1C[C@]23CC[C@@H]1C([C@@H]3CC[C@H]2C)(C)C

InChI:
InChI=1S/C15H24/c1-10-9-15-8-7-12(10)14(3,4)13(15)6-5-11(15)2/h11-13H,1,5-9H2,2-4H3/t11-,12+,13+,15-/m1/s1

InChIKey:
SODGFMASLAAZRW-UKTARXLSSA-N

DeepSMILES:
C=CC[C@@]CC[C@@H]6C[C@@H]6CC[C@H]9C)))))C)C

Functional groups:
C=C(C)C

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CC23CCCC2CC1CC3

Scaffold Graph/Node level:
CC1CC23CCCC2CC1CC3

Scaffold Graph level:
CC1CC23CCCC2CC1CC3

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Hydrocarbons

ClassyFire Class: Unsaturated hydrocarbons

ClassyFire Subclass: Branched unsaturated hydrocarbons

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Cedrane and Isocedrane sesquiterpenoids

NP-Likeness score: 3.341

---

Chemical structure download