Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID018291

Phytochemical name: 1-Hydroxymethyl-3,3,7,11-tetramethyltricyclo[5.4.0.0(4,11)]undecane

Synonymous chemical names:
1-Hydroxymethyl-3,3,7,11-tetramethyltricyclo[5.4.0.0(4,11)]undecane

External chemical identifiers:
CID:CID_609544

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Chemical structure information

SMILES:
OCC12CC(C3C2(C)CCCC1(C)CC3)(C)C

InChI:
InChI=1S/C16H28O/c1-13(2)10-16(11-17)14(3)7-5-8-15(16,4)12(13)6-9-14/h12,17H,5-11H2,1-4H3

InChIKey:
XPDPKIAYXVHAEN-UHFFFAOYSA-N

DeepSMILES:
OCCCCCC5C)CCCC9C)CC8))))))))C)C

Functional groups:
CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CC2CCC3CCC2C3C1

Scaffold Graph/Node level:
C1CC2CCC3CCC2C3C1

Scaffold Graph level:
C1CC2CCC3CCC2C3C1

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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: Gymnomitrane sesquiterpenoids

NP-Likeness score: 2.675

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Chemical structure download