Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID005778

Phytochemical name: 1H-Cycloprop[e]azulene, decahydro-1,1,4,7-tetramethyl-

Synonymous chemical names:
aromadendrane, 1,1,4,7-Tetramethyl-1a,2,3,4,4a,5,6,7,7a,7b-decahydrocyclopropa[e]azulene

External chemical identifiers:
CID:CID_520381

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Chemical structure information

SMILES:
CC1CCC2C1C1C(C1(C)C)CCC2C

InChI:
InChI=1S/C15H26/c1-9-6-8-12-14(15(12,3)4)13-10(2)5-7-11(9)13/h9-14H,5-8H2,1-4H3

InChIKey:
UIDUJXXQMGYOIN-UHFFFAOYSA-N

DeepSMILES:
CCCCCC5CCC3C)C))CCC7C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CC2CCCC2C2CC2C1

Scaffold Graph/Node level:
C1CC2CCCC2C2CC2C1

Scaffold Graph level:
C1CC2CCCC2C2CC2C1

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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: Aromadendrane sesquiterpenoids

NP-Likeness score: 2.689

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Chemical structure download