Porson

Details

• Internal ID: ab643ce2-962d-4f90-906b-c05cb33774ed
• Taxonomy: Phenylpropanoids and polyketides > Diarylheptanoids > Cyclic diarylheptanoids > Meta,meta-bridged biphenyls
• IUPAC Name: 3,8-dihydroxy-15,16,17-trimethoxytricyclo[12.3.1.12,6]nonadeca-1(17),2,4,6(19),14(18),15-hexaen-9-one
• SMILES (Canonical): COC1=C(C(=C2C=C1CCCCC(=O)C(CC3=CC2=C(C=C3)O)O)OC)OC
• SMILES (Isomeric): COC1=C(C(=C2C=C1CCCCC(=O)C(CC3=CC2=C(C=C3)O)O)OC)OC
• InChI: InChI=1S/C22H26O6/c1-26-20-14-6-4-5-7-18(24)19(25)11-13-8-9-17(23)15(10-13)16(12-14)21(27-2)22(20)28-3/h8-10,12,19,23,25H,4-7,11H2,1-3H3
• InChI Key: IFQDEGDKLBEYHN-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₂H₂₆O₆
• Molecular Weight: 386.40 g/mol
• Exact Mass: 386.17293854 g/mol
• Topological Polar Surface Area (TPSA): 85.20 Ų
• XlogP: 3.40

Synonyms

• 56222-03-8
• Porsone
• (-)-Porson; Porson
• CHEBI:172106
• AKOS040762820
• FS-10014
• 3,8-dihydroxy-15,16,17-trimethoxytricyclo[12.3.1.12,6]nonadeca-1(17),2,4,6(19),14(18),15-hexaen-9-one

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	98.76%	91.11%
CHEMBL1951	P21397	Monoamine oxidase A	96.61%	91.49%
CHEMBL2581	P07339	Cathepsin D	95.83%	98.95%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	94.26%	96.09%
CHEMBL4040	P28482	MAP kinase ERK2	92.63%	83.82%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	92.58%	95.56%
CHEMBL3192	Q9BY41	Histone deacetylase 8	89.91%	93.99%
CHEMBL1293249	Q13887	Kruppel-like factor 5	88.36%	86.33%
CHEMBL2535	P11166	Glucose transporter	87.88%	98.75%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	86.88%	90.71%
CHEMBL5608	Q16288	NT-3 growth factor receptor	86.82%	95.89%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	85.54%	94.00%
CHEMBL2094127	P06493	Cyclin-dependent kinase 1/cyclin B	84.68%	96.00%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	83.69%	99.15%
CHEMBL1806	P11388	DNA topoisomerase II alpha	82.37%	89.00%
CHEMBL4208	P20618	Proteasome component C5	80.75%	90.00%
CHEMBL3137262	O60341	LSD1/CoREST complex	80.52%	97.09%

Plants that contains it

• Myrica gale

Cross-Links

• PubChem: 85180765
• LOTUS: LTS0270827
• wikiData: Q105112311