Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID018294

Phytochemical name: 2-(8-Hydroxy-1,2,5,5-tetramethyldecahydro-1-naphthalenyl)ethyl acetate

Synonymous chemical names:
2-(8-Hydroxy-1,2,5,5-tetramethyldecahydro-1-naphthalenyl)ethyl acetate

Chemical structure information

SMILES:
CC(=O)OCCC1(C)C(C)CCC2C1C(O)CCC2(C)C

InChI:
InChI=1S/C18H32O3/c1-12-6-7-14-16(15(20)8-9-17(14,3)4)18(12,5)10-11-21-13(2)19/h12,14-16,20H,6-11H2,1-5H3

InChIKey:
CNKJWZLVQKLHRE-UHFFFAOYSA-N

DeepSMILES:
CC=O)OCCCC)CC)CCCC6CO)CCC6C)C

Functional groups:
COC(C)=O, CO

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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: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Alcohols and polyols

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Diterpenoids

NP Classifier Class: Colensane and Clerodane diterpenoids

NP-Likeness score: 2.553

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Chemical structure download