Summary

IMPPAT Phytochemical identifier: IMPHY006924

Phytochemical name: Junipediol A

Synonymous chemical names:
junipediol a

External chemical identifiers:
CID:86072622, ZINC:ZINC000015112882

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Chemical structure information

SMILES:
OCC(c1ccc(c(c1)OC)O)CO

InChI:
InChI=1S/C10H14O4/c1-14-10-4-7(2-3-9(10)13)8(5-11)6-12/h2-4,8,11-13H,5-6H2,1H3

InChIKey:
UIDMTMWJXFPCFC-UHFFFAOYSA-N

DeepSMILES:
OCCcccccc6)OC)))O)))))CO

Functional groups:
CO, cO, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccccc1

Scaffold Graph/Node level:
C1CCCCC1

Scaffold Graph level:
C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Phenols

ClassyFire Subclass: Methoxyphenols

NP-Likeness score: 1.068

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Chemical structure download