Summary

IMPPAT Phytochemical identifier: IMPHY010057

Phytochemical name: Acoragermacrone

Synonymous chemical names:
acoragermacrone

External chemical identifiers:
CID:6452183

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Chemical structure information

SMILES:
C/C/1=C/CC/C(=CC(=O)[C@@H](CC1)C(C)C)/C

InChI:
InChI=1S/C15H24O/c1-11(2)14-9-8-12(3)6-5-7-13(4)10-15(14)16/h6,10-11,14H,5,7-9H2,1-4H3/b12-6-,13-10-/t14-/m0/s1

InChIKey:
RESNWHKKMVJDFA-AWOVNWSUSA-N

DeepSMILES:
C/C=C/CC/C=CC=O)[C@@H]CC%10))CC)C)))))/C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=CCCC=CCCC1

Scaffold Graph/Node level:
OC1CCCCCCCCC1

Scaffold Graph level:
CC1CCCCCCCCC1

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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: Germacrane sesquiterpenoids

NP-Likeness score: 2.477

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Chemical structure download