Summary

IMPPAT Phytochemical identifier: IMPHY007602

Phytochemical name: Eremophilane

Synonymous chemical names:
eremophilane

External chemical identifiers:
CID:9548704, ChEBI:36521, ZINC:ZINC000064624191

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Chemical structure information

SMILES:
CC([C@@H]1CC[C@@H]2[C@@](C1)(C)[C@@H](C)CCC2)C

InChI:
InChI=1S/C15H28/c1-11(2)13-8-9-14-7-5-6-12(3)15(14,4)10-13/h11-14H,5-10H2,1-4H3/t12-,13+,14+,15+/m0/s1

InChIKey:
AJWBFJHTFGRNDG-GBJTYRQASA-N

DeepSMILES:
CC[C@@H]CC[C@@H][C@@]C6)C)[C@@H]C)CCC6)))))))))C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCC2CCCCC2C1

Scaffold Graph/Node level:
C1CCC2CCCCC2C1

Scaffold Graph level:
C1CCC2CCCCC2C1

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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: Eremophilane sesquiterpenoids

NP-Likeness score: 1.721

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Chemical structure download