Summary

IMPPAT Phytochemical identifier: IMPHY012630

Phytochemical name: Tetracyclo[6.3.2.0(2,5).0(1,8)]tridecan-9-ol, 4,4-dimethyl-

Synonymous chemical names:
tetracyclo[6.3.2.0(2,5).0(1,8)]tridecan-9-ol, 4,4-dimethyl-, tetracyclo[6.3.2.0(2,5).0(1,8)]tridecan-9-ol,4,4-dimethyl-

External chemical identifiers:
CID:585744

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Chemical structure information

SMILES:
OC1CCC23C1(CCC1C3CC1(C)C)CC2

InChI:
InChI=1S/C15H24O/c1-13(2)9-11-10(13)3-5-15-8-7-14(11,15)6-4-12(15)16/h10-12,16H,3-9H2,1-2H3

InChIKey:
DFBIFSIVSFAGEV-UHFFFAOYSA-N

DeepSMILES:
OCCCCC5CCCC6CC4C)C)))))))CC4

Functional groups:
CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CC23CCC4CCC4C2(C1)CC3

Scaffold Graph/Node level:
C1CC23CCC4CCC4C2(C1)CC3

Scaffold Graph level:
C1CC23CCC4CCC4C2(C1)CC3

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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: Sesquiterpenoids

NP Classifier Class: Clovane sesquiterpenoids

NP-Likeness score: 2.891

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Chemical structure download