Bianthrone

Details

• Internal ID: c0455eda-e7c6-4acd-b09a-40a8c1a485ef
• Taxonomy: Benzenoids > Anthracenes
• IUPAC Name: 10-(10-oxoanthracen-9-ylidene)anthracen-9-one
• InChI: InChI=1S/C28H16O2/c29-27-21-13-5-1-9-17(21)25(18-10-2-6-14-22(18)27)26-19-11-3-7-15-23(19)28(30)24-16-8-4-12-20(24)26/h1-16H
• InChI Key: MGRRGKWPEVFJSH-UHFFFAOYSA-N
• Popularity: 168 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₈H₁₆O₂
• Molecular Weight: 384.40 g/mol
• Exact Mass: 384.115029749 g/mol
• Topological Polar Surface Area (TPSA): 34.10 Ų
• XlogP: 5.70

Synonyms

• 434-85-5
• 10H,10'H-[9,9'-Bianthracenylidene]-10,10'-dione
• Dehydrodianthrone
• 9(10H)-Anthracenone, 10-(10-oxo-9(10H)-anthracenylidene)-
• 10-(10-oxoanthracen-9-ylidene)anthracen-9-one
• .DELTA.10,10'-Bianthrone
• bainthrone
• NSC-89778
• NSC627656
• 56R67P666M
• NSC-627656
• bisanthrone
• (.delta.9,9'(10H,10'H)-Bianthracene)-10,10'-dione
• 9,9'-bi-9(10H)-anthracenylidene-10,1'-dione
• C28H16O2
• 10-(10-oxo-9-anthrylidene)anthracen-9-one
• UNII-56R67P666M
• EINECS 207-106-8
• NSC 89778
• NCIOpen2_009646
• PHTHALICACIDDISODIUMSALT
• SCHEMBL769933
• DTXSID6059994
• MGRRGKWPEVFJSH-UHFFFAOYSA-
• MGRRGKWPEVFJSH-UHFFFAOYSA-N
• NSC89778
• MFCD00001238
• AKOS005443793
• AS-15385
• [9,9']Bianthracenylidene-10,10'-dione
• HY-136504
• B0827
• CS-0129899
• FT-0622945
• B-2370
• [.DELTA.9,10'H)-Bianthracene]-10,10'-dione
• Q27261425
• (delta9,9'(10H,10'H)-Bianthracene)-10,10'-dione
• 10-(10-OXO-9(10H)-ANTHRACENYLIDENE)-9(10H)-ANTHRACENONE
• InChI=1/C28H16O2/c29-27-21-13-5-1-9-17(21)25(18-10-2-6-14-22(18)27)26-19-11-3-7-15-23(19)28(30)24-16-8-4-12-20(24)26/h1-16H

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
CHEMBL2581	P07339	Cathepsin D	94.96%	98.95%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	93.10%	95.56%
CHEMBL4026	P40763	Signal transducer and activator of transcription 3	89.19%	82.69%
CHEMBL2378	P30307	Dual specificity phosphatase Cdc25C	84.33%	96.67%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	80.55%	91.11%

Plants that contains it

• Psorospermum febrifugum

Cross-Links

• PubChem: 67948
• LOTUS: LTS0205454
• wikiData: Q27261425