Summary

IMPPAT Phytochemical identifier: IMPHY017477

Phytochemical name: Dehydrosasurealactone

Synonymous chemical names:
dehydrosaussurea lactone

External chemical identifiers:
CID:556920

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Chemical structure information

SMILES:
C=CC1(C)CCC2C(C1C(=C)C)OC(=O)C2=C

InChI:
InChI=1S/C15H20O2/c1-6-15(5)8-7-11-10(4)14(16)17-13(11)12(15)9(2)3/h6,11-13H,1-2,4,7-8H2,3,5H3

InChIKey:
ZNTHTBBAGNVESR-UHFFFAOYSA-N

DeepSMILES:
C=CCC)CCCCC6C=C)C)))OC=O)C5=C

Functional groups:
C=C(C)C, C=C1CCOC1=O, C=CC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1C(=O)OC2CCCCC12

Scaffold Graph/Node level:
CC1C(O)OC2CCCCC21

Scaffold Graph level:
CC1CC2CCCCC2C1C

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Diterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Elemane sesquiterpenoids

NP-Likeness score: 3.449

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Chemical structure download