Summary
IMPPAT Phytochemical identifier: IMPPAT3_PHYID014617
Phytochemical name: 1-Naphthol
Synonymous chemical names:1-naphthalenol
External chemical identifiers:CID:CID_7005, ChEMBL:CHEMBL122617, ChEBI:CHEBI:10319, ZINC:ZINC000004292977, FDASRS:2A71EAQ389, SureChEMBL:SCHEMBL3416, MolPort-000-872-002
Chemical structure information
SMILES:
Oc1cccc2c1cccc2InChI:
InChI=1S/C10H8O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11HInChIKey:
KJCVRFUGPWSIIH-UHFFFAOYSA-NDeepSMILES:
Occcccc6cccc6Functional groups:
cOLink to spectral information:
MSBNK-UFZ-UA004601, MSBNK-UFZ-UA004604, MSBNK-UFZ-UA004603, MSBNK-LCSB-LU113606, MSBNK-LCSB-LU113605, MSBNK-LCSB-LU113604, MSBNK-LCSB-LU113603, MSBNK-LCSB-LU113602, MSBNK-LCSB-LU113601
Molecular scaffolds
Scaffold Graph/Node/Bond level:
c1ccc2ccccc2c1Scaffold Graph/Node level:
C1CCC2CCCCC2C1Scaffold Graph level:
C1CCC2CCCCC2C1
Chemical classification
ClassyFire Kingdom: Organic compoundsClassyFire Superclass: BenzenoidsClassyFire Class: Naphthalenes
ClassyFire Subclass: Naphthols and derivatives
NP Classifier Biosynthetic pathway: Polyketides
NP Classifier Superclass: Naphthalenes
NP Classifier Class: Naphthalenes and derivatives
NP-Likeness score: 0.272
Chemical structure download
