Diphenylcyclopropenone

Details

• Internal ID: 6b6012fe-f2ec-4544-bde3-d5676e2cef15
• Taxonomy: Benzenoids > Benzene and substituted derivatives
• IUPAC Name: 2,3-diphenylcycloprop-2-en-1-one
• SMILES (Canonical): C1=CC=C(C=C1)C2=C(C2=O)C3=CC=CC=C3
• SMILES (Isomeric): C1=CC=C(C=C1)C2=C(C2=O)C3=CC=CC=C3
• InChI: InChI=1S/C15H10O/c16-15-13(11-7-3-1-4-8-11)14(15)12-9-5-2-6-10-12/h1-10H
• InChI Key: HCIBTBXNLVOFER-UHFFFAOYSA-N
• Popularity: 655 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₁₀O
• Molecular Weight: 206.24 g/mol
• Exact Mass: 206.073164938 g/mol
• Topological Polar Surface Area (TPSA): 17.10 Ų
• XlogP: 3.30

Synonyms

• 886-38-4
• Diphencyprone
• 2,3-Diphenylcycloprop-2-en-1-one
• 2,3-Diphenylcycloprop-2-enone
• 2,3-Diphenylcyclopropenone
• 1,2-Diphenylcyclopropen-3-one
• 2-Cyclopropen-1-one, 2,3-diphenyl-
• Cyclopropenone, diphenyl-
• DPCP
• 2,3-Diphenyl-2-cyclopropen-1-one
• Cyclopropenone, 2,3-diphenyl-
• CHEBI:53074
• EINECS 212-948-4
• MFCD00001311
• NSC 57541
• UNII-I7G14NW5EC
• I7G14NW5EC
• diphenylcycloprop-2-en-1-one
• DTXSID2046545
• NSC-57541
• NCGC00166113-01
• DTXCID0026545
• CAS-886-38-4
• SMR000449319
• CPD000449319
• DIPHENYLCYCLOPENONE
• Maybridge1_002005
• 1,2-diphenylcyclopropenone
• DIPHENCYPRONE [MI]
• Cyclopropenone,3-diphenyl-
• D02XXT
• Epitope ID:113236
• 2,3-diphenyl cyclopropenone
• Diphenylcyclopropenone, 98%
• MLS000758252
• MLS001424007
• DIPHENCYPRONE [MART.]
• SCHEMBL105663
• DIPHENCYPRONE [WHO-DD]
• CHEMBL1373467
• HMS547D03
• AMY1261
• 2-Cyclopropen-1-one,3-diphenyl-
• HMS2051I09
• HMS2231A10
• HMS3393I09
• NSC57541
• Tox21_112322
• 2,3-Diphenyl-2-cyclopropene-1-one
• 2,3-diphenyl-cycloprop-2-en-1-one
• CCG-55613
• GEO-01240
• STK289679
• AKOS005257686
• Tox21_112322_1
• CS-W015321
• DB12173
• HY-W014605
• NC00029
• PS-4199
• SB17263
• NCGC00166113-02
• NCGC00166113-04
• LS-58814
• SY061804
• FT-0625256
• F17153
• A861627
• AD-310/30361065
• Diphenylcyclopropenone, purum, >=98.0% (HPLC)
• Q5279743
• SR-01000644630-1
• W-200519
• InChI=1/C15H10O/c16-15-13(11-7-3-1-4-8-11)14(15)12-9-5-2-6-10-12/h1-10

2D Structure

ADMET Properties (via admetSAR 2)

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

Targets

Proven Targets:

CHEMBL ID	UniProt ID	Name	Min activity	Assay type	Source
CHEMBL5514	P42858	Huntingtin	14125.4 nM	Potency	via CMAUP
CHEMBL1293224	P10636	Microtubule-associated protein tau	35481.3 nM; 39810.7 nM	Potency; Potency	via CMAUP; via CMAUP
CHEMBL1293235	P02545	Prelamin-A/C	35481.3 nM	Potency	via CMAUP

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL2581	P07339	Cathepsin D	93.37%	98.95%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	92.31%	95.56%
CHEMBL2035	P08912	Muscarinic acetylcholine receptor M5	86.03%	94.62%
CHEMBL216	P11229	Muscarinic acetylcholine receptor M1	85.59%	94.23%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	85.41%	91.11%
CHEMBL2095172	P14867	GABA-A receptor; alpha-1/beta-2/gamma-2	85.32%	92.67%
CHEMBL1293249	Q13887	Kruppel-like factor 5	82.86%	86.33%

Plants that contains it

• Angelica pubescens
• Commiphora myrrha
• Coriandrum sativum
• Cryptotaenia japonica
• Foeniculum vulgare
• Mosla dianthera
• Pandanus tectorius
• Pinus koraiensis

Cross-Links

• PubChem: 65057
• NPASS: NPC95868
• ChEMBL: CHEMBL1373467