Phyto4Health

Phenanthrene

Representations & DB's id
ChEBI: CHEBI:28851
ChEMBL: CHEMBL46730
PubChem: 995
IUPAC: phenanthrene
Standard InChI: InChI=1S/C14H10/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13/h1-10H
Standard InChI Key: YNPNZTXNASCQKK-UHFFFAOYSA-N
SMILES: c1ccc2c(c1)c1ccccc1cc2

Molecular propeties
AlogP: 3.99
Hydrogen bonds acceptors: 0
Hydrogen bonds donors: 0
Rotatable bonds: 0
Number of rings: 3
Molecular Weight: 178.08
Topological polar surface area: 0
Number of aromatic rings: 3
Fsp3: 0
Number of carbons: 14

Plant sources

Part of plant Plant name Ref.
PlantPeganum harmala

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.
IC5097000 nMCytochrome P450 2A6P11509
IC5097051 nMCytochrome P450 2A6P11509
Potency39810.7 nMEndoplasmic reticulum-associated amyloid beta-peptide-binding proteinQ99714
Potency1995.3 nMTyrosyl-DNA phosphodiesterase 1Q9NUW8
Potency1000 nMThyroid stimulating hormone receptorP16473
Potency35481.3 nMAldehyde dehydrogenase 1A1P00352
Potency1000 nMThyroid stimulating hormone receptorP16473
Potency39810.7 nMLysine-specific demethylase 4AO75164
Potency74978 nMNuclear factor erythroid 2-related factor 2Q16236
Potency74978 nMInterleukin-8P10145