Arborinine

Details

• 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: 52 references in papers

Physical and Chemical Properties

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

Synonyms

• 5489-57-6
• Arborinin
• Arbornine
• 1-hydroxy-2,3-dimethoxy-10-methylacridin-9-one
• 9-Acridanone, 1-hydroxy-2,3-dimethoxy-10-methyl-
• 9(10H)-Acridinone, 1-hydroxy-2,3-dimethoxy-10-methyl-
• CHEBI:2804
• CHEMBL349609
• 16XG8UE639
• NSC 94650
• NSC-94650
• NSC681020
• NSC 681020
• NSC-681020
• 1-Hydroxy-2,3-dimethoxy-10-methyl-9(10H)-acridinone
• 1-Hydroxy-2,3-dimethoxy-10-methylacridone
• 1-Hydroxy-2,3-dimethoxy-10-methylacridan-9-one
• 1-Hydroxy-2,3-dimethoxy-10-methylacridin-9(10H)-one
• 1-HYDROXY-2,3-DIMETHOXY-10-METHYL-9,10-DIHYDROACRIDIN-9-ONE
• UNII-16XG8UE639
• SCHEMBL1663913
• 1-Hydroxy-2,3-dimethoxy-10-methyl-10H-acridin-9-one
• DTXSID60203378
• ATBZZQPALSPNMF-UHFFFAOYSA-N
• NSC94650
• BDBM50049390
• 9-Acridanone,3-dimethoxy-10-methyl-
• AKOS040761369
• 1-hydroxy-2,3-dimethoxy-N-methylacridone
• XA163699
• HY-128912
• 9(10H)-Acridinone,3-dimethoxy-10-methyl-
• CS-0102112
• 1-hydroxy-2,3-dimethoxy-10-methyl-9-acridone
• 1-Hydroxy-2,3-dimethoxy-10-methyl-9-Acridanone
• 1-hydroxy-2,3-dimethoxy-10-methyl-acridin-9-one
• Q27105822
• 9-Acridanone, 1-hydroxy-2,3-dimethoxy-10-methyl- (8CI)
• 9(10H)-Acridinone, 1-hydroxy-2,3-dimethoxy-10-methyl- (9CI)

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
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

• Almeidea rubra
• Citropsis articulata
• Daphne tangutica
• Ertela trifolia
• Esenbeckia berlandieri subsp. litoralis
• Esenbeckia febrifuga
• Glycosmis angustifolia
• Glycosmis mauritiana
• Glycosmis parva
• Glycosmis pentaphylla
• Melicope micrococca
• Ravenia spectabilis
• Ruta chalepensis
• Ruta graveolens
• Sarcomelicope megistophylla
• Strychnos potatorum
• Vepris bilocularis
• Vepris boiviniana
• Vepris gerrardii
• Vepris nobilis
• Vepris renieri
• Vepris trichocarpa
• Vitellaria paradoxa
• Zanthoxylum gilletii
• Zanthoxylum leprieurii
• Zanthoxylum rubescens
• Zanthoxylum simulans

Cross-Links

• PubChem: 5281832
• NPASS: NPC220241
• ChEMBL: CHEMBL349609
• LOTUS: LTS0214986
• wikiData: Q27105822