Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID018132

Phytochemical name: Naphthalene, 6-ethyl-1,2,3,4-tetrahydro-1,1,4,4-tetramethyl-7-(1-methylethenyl)-

Synonymous chemical names:
Naphthalene, 6-ethyl-1,2,3,4-tetrahydro-1,1,4,4-tetramethyl-7-(1-methylethenyl)-

External chemical identifiers:
CID:CID_617787

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Chemical structure information

SMILES:
CCc1cc2c(cc1C(=C)C)C(C)(C)CCC2(C)C

InChI:
InChI=1S/C19H28/c1-8-14-11-16-17(12-15(14)13(2)3)19(6,7)10-9-18(16,4)5/h11-12H,2,8-10H2,1,3-7H3

InChIKey:
IOOKJAMMWSNJHG-UHFFFAOYSA-N

DeepSMILES:
CCcccccc6C=C)C))))CC)C)CCC6C)C

Functional groups:
cC(=C)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2c(c1)CCCC2

Scaffold Graph/Node level:
C1CCC2CCCCC2C1

Scaffold Graph level:
C1CCC2CCCCC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Tetralins

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Botryane sesquiterpenoids

NP-Likeness score: 0.653

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Chemical structure download