Summary

IMPPAT Phytochemical identifier: IMPHY007880

Phytochemical name: Dihydrosuberenol

Synonymous chemical names:
dihydrosuberenol

External chemical identifiers:
CID:14077805, ChEBI:174459, ZINC:ZINC000014455177

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Chemical structure information

SMILES:
COc1cc2oc(=O)ccc2cc1CCC(O)(C)C

InChI:
InChI=1S/C15H18O4/c1-15(2,17)7-6-11-8-10-4-5-14(16)19-13(10)9-12(11)18-3/h4-5,8-9,17H,6-7H2,1-3H3

InChIKey:
YCIWLTLAWPAWSP-UHFFFAOYSA-N

DeepSMILES:
COcccoc=O)ccc6cc%10CCCO)C)C

Functional groups:
CO, c=O, cOC, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1ccc2ccccc2o1

Scaffold Graph/Node level:
OC1CCC2CCCCC2O1

Scaffold Graph level:
CC1CCC2CCCCC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Coumarins and derivatives

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Coumarins

NP Classifier Class: Simple coumarins

NP-Likeness score: 1.019

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Chemical structure download