Arborinine

Details

Physical and Chemical Properties

Synonyms

2D Structure

3D Structure

ADMET Properties

Targets (proven and/or predicted)

Plants that contains it

Cross-Links

Details

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Internal ID	55f582b0-4ff6-434b-bc0f-b862369c64d4
Taxonomy	Organoheterocyclic compounds > Quinolines and derivatives > Benzoquinolines > Acridines > Acridones
IUPAC Name	1-hydroxy-2,3-dimethoxy-10-methylacridin-9-one
SMILES (Canonical)	CN1C2=CC=CC=C2C(=O)C3=C(C(=C(C=C31)OC)OC)O
SMILES (Isomeric)	CN1C2=CC=CC=C2C(=O)C3=C(C(=C(C=C31)OC)OC)O
InChI	InChI=1S/C16H15NO4/c1-17-10-7-5-4-6-9(10)14(18)13-11(17)8-12(20-2)16(21-3)15(13)19/h4-8,19H,1-3H3
InChI Key	ATBZZQPALSPNMF-UHFFFAOYSA-N
Popularity	76 references in papers

Physical and Chemical Properties

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Molecular Formula	C₁₆H₁₅NO₄
Molecular Weight	285.29 g/mol
Exact Mass	285.10010796 g/mol
Topological Polar Surface Area (TPSA)	59.00 Å²
XlogP	3.30

Synonyms

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5489-57-6

Arborinin

1-hydroxy-2,3-dimethoxy-10-methylacridin-9-one

9-Acridanone, 1-hydroxy-2,3-dimethoxy-10-methyl-

16XG8UE639

9(10H)-Acridinone, 1-hydroxy-2,3-dimethoxy-10-methyl-

NSC-94650

NSC-681020

1-Hydroxy-2,3-dimethoxy-10-methyl-9(10H)-acridinone

DTXSID60203378

There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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3D Structure

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ADMET Properties (via admetSAR 2)

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

Targets

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Proven Targets:

CHEMBL ID	UniProt ID	Name	Min activity	Assay type	Source
No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	98.56%	95.56%
CHEMBL3192	Q9BY41	Histone deacetylase 8	96.96%	93.99%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	94.92%	85.14%
CHEMBL2581	P07339	Cathepsin D	94.37%	98.95%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	93.55%	91.11%
CHEMBL1806	P11388	DNA topoisomerase II alpha	93.33%	89.00%
CHEMBL1293249	Q13887	Kruppel-like factor 5	93.22%	86.33%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	92.45%	96.09%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	92.08%	94.00%
CHEMBL2535	P11166	Glucose transporter	89.59%	98.75%
CHEMBL1899	P46098	Serotonin 3a (5-HT3a) receptor	87.90%	100.00%
CHEMBL2085	P14174	Macrophage migration inhibitory factor	84.85%	80.78%
CHEMBL4208	P20618	Proteasome component C5	82.83%	90.00%
CHEMBL2056	P21728	Dopamine D1 receptor	82.72%	91.00%
CHEMBL5409	Q8TDU6	G-protein coupled bile acid receptor 1	82.32%	93.65%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	80.29%	99.23%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
To see more specific details click the taxa you are interested in.

Esenbeckia berlandieri subsp. litoralis

Esenbeckia febrifuga

Glycosmis angustifolia

Glycosmis mauritiana

Glycosmis parva

Glycosmis pentaphylla

Melicope micrococca

Ravenia spectabilis