Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID017635

Phytochemical name: Cyclopentadecanol

Synonymous chemical names:
cyclopentadecanol

External chemical identifiers:
CID:CID_107327, ZINC:ZINC000005133744, FDASRS:AX02BP4A5S, SureChEMBL:SCHEMBL811994, MolPort-006-116-413

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Chemical structure information

SMILES:
OC1CCCCCCCCCCCCCC1

InChI:
InChI=1S/C15H30O/c16-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-15/h15-16H,1-14H2

InChIKey:
FFVHXGZXDRXFLQ-UHFFFAOYSA-N

DeepSMILES:
OCCCCCCCCCCCCCCC%15

Functional groups:
CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCCCCCCCCCCCCC1

Scaffold Graph/Node level:
C1CCCCCCCCCCCCCC1

Scaffold Graph level:
C1CCCCCCCCCCCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Alcohols and polyols

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty esters

NP Classifier Class: Lactones

NP-Likeness score: 0.328

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Chemical structure download