Summary

IMPPAT Phytochemical identifier: IMPHY007409

Phytochemical name: 5-((Z)-tridec-8-en-1-yl)resorcinol

Synonymous chemical names:
ardisinol ii

External chemical identifiers:
CID:6454482

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Chemical structure information

SMILES:
CCCC/C=CCCCCCCCc1cc(O)cc(c1)O

InChI:
InChI=1S/C19H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-14-18(20)16-19(21)15-17/h5-6,14-16,20-21H,2-4,7-13H2,1H3/b6-5-

InChIKey:
ILUMNMFPGSFYMK-WAYWQWQTSA-N

DeepSMILES:
CCCC/C=CCCCCCCCcccO)ccc6)O

Functional groups:
C/C=CC, cO

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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: Benzenediols

NP Classifier Biosynthetic pathway: Polyketides

NP Classifier Superclass: Aromatic polyketides

NP Classifier Class: Catechols with side chains

NP-Likeness score: 1.189

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Chemical structure download