Summary

IMPPAT Phytochemical identifier: IMPHY004471

Phytochemical name: Belamcandol A

Synonymous chemical names:
2,4-dimethoxy-6-[(z)-10'-pentadecenyl] phenol (belamcandol a), belamcandol a

External chemical identifiers:
CID:5321906, ZINC:ZINC000033833998

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Chemical structure information

SMILES:
CCCC/C=CCCCCCCCCCc1cc(OC)cc(c1O)OC

InChI:
InChI=1S/C23H38O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18-21(25-2)19-22(26-3)23(20)24/h7-8,18-19,24H,4-6,9-17H2,1-3H3/b8-7-

InChIKey:
GBCXPDPXQWPCTG-FPLPWBNLSA-N

DeepSMILES:
CCCC/C=CCCCCCCCCCcccOC))ccc6O))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: 0.942

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Chemical structure download