Summary

IMPPAT Phytochemical identifier: IMPHY000066

Phytochemical name: 3-methoxy-5-[(Z)-pentadec-10-enyl]phenol

Synonymous chemical names:
1-o-methyl-5-[(z)-10'-pentadecenyl] resorcinol (belamcandol b), belamcandol b

External chemical identifiers:
CID:10969651

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Chemical structure information

SMILES:
CCCC/C=CCCCCCCCCCc1cc(O)cc(c1)OC

InChI:
InChI=1S/C22H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-17-21(23)19-22(18-20)24-2/h6-7,17-19,23H,3-5,8-16H2,1-2H3/b7-6-

InChIKey:
NKOPRUNFJQCUCF-SREVYHEPSA-N

DeepSMILES:
CCCC/C=CCCCCCCCCCcccO)ccc6)OC

Functional groups:
C/C=CC, 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 Classifier Biosynthetic pathway: Polyketides

NP Classifier Superclass: Aromatic polyketides

NP Classifier Class: Catechols with side chains

NP-Likeness score: 1.026

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Chemical structure download