Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID015332

Phytochemical name: Acetyldihydroalbene

Synonymous chemical names:
acetyldihydroalbene (15)

External chemical identifiers:
CID:CID_21675862

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Chemical structure information

SMILES:
CC(=O)[C@H]1CC[C@]2([C@]1(C)[C@@H]1CC[C@H]2C1)C

InChI:
InChI=1S/C14H22O/c1-9(15)12-6-7-13(2)10-4-5-11(8-10)14(12,13)3/h10-12H,4-8H2,1-3H3/t10-,11+,12+,13+,14+/m0/s1

InChIKey:
ZVJYJEILWCYOQE-RYMFRWLXSA-N

DeepSMILES:
CC=O)[C@H]CC[C@][C@]5C)[C@@H]CC[C@H]6C5))))))C

Functional groups:
CC(C)=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CC2C3CCC(C3)C2C1

Scaffold Graph/Node level:
C1CC2C3CCC(C3)C2C1

Scaffold Graph level:
C1CC2C3CCC(C3)C2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Monoterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP-Likeness score: 2.2

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Chemical structure download