Summary

IMPPAT Phytochemical identifier: IMPHY014868

Phytochemical name: Hydroxydavanone

Synonymous chemical names:
cis-hydroxydavanone

External chemical identifiers:
CID:5477854

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Chemical structure information

SMILES:
C=CC1(C)CCC(O1)C(C(=O)/C=C/C(O)(C)C)C

InChI:
InChI=1S/C15H24O3/c1-6-15(5)10-8-13(18-15)11(2)12(16)7-9-14(3,4)17/h6-7,9,11,13,17H,1,8,10H2,2-5H3/b9-7+

InChIKey:
WQUKMIHCFQFPQG-VQHVLOKHSA-N

DeepSMILES:
C=CCC)CCCO5)CC=O)/C=C/CO)C)C)))))C

Functional groups:
C/C=C/C(C)=O, C=CC, CO, COC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCOC1

Scaffold Graph/Node level:
C1CCOC1

Scaffold Graph level:
C1CCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Tetrahydrofurans

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Farnesane sesquiterpenoids

NP-Likeness score: 2.708

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Chemical structure download