Morin

Details

• Internal ID: 3e422232-e80a-4ccd-b301-5929e2e6867f
• Taxonomy: Phenylpropanoids and polyketides > Flavonoids > Flavones > Flavonols
• IUPAC Name: 2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one
• SMILES (Canonical): C1=CC(=C(C=C1O)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O
• SMILES (Isomeric): C1=CC(=C(C=C1O)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O
• InChI: InChI=1S/C15H10O7/c16-6-1-2-8(9(18)3-6)15-14(21)13(20)12-10(19)4-7(17)5-11(12)22-15/h1-5,16-19,21H
• InChI Key: YXOLAZRVSSWPPT-UHFFFAOYSA-N
• Popularity: 5,907 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₁₀O₇
• Molecular Weight: 302.23 g/mol
• Exact Mass: 302.04265265 g/mol
• Topological Polar Surface Area (TPSA): 127.00 Ų
• XlogP: 1.50

Synonyms

• 480-16-0
• Aurantica
• Calico Yellow
• 2',3,4',5,7-Pentahydroxyflavone
• Al-Morin
• Toxylon Pomiferum
• 2-(2,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one
• Morin hydrate
• Bois d,Arc
• Bois d'arc
• C.I. Natural Yellow 8
• C.I. Natural Yellow 11
• Osage Orange Crystals
• 2'-Hydroxypelargidenolon 1522
• 3,5,7,2',4'-Pentahydroxyflavone
• 3,5,7,2',4'-Pentahydroxyflavonol
• C.I. 75660
• 2',4',3,5,7-Pentahydroxyflavone
• 2',4',5,7-Tetrahydroxyflavan-3-ol
• Zlut prirodni 11
• 2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one
• Bois d'arc [French]
• Zlut prirodni 11 [Czech]
• 4H-1-Benzopyran-4-one, 2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxy-
• NSC 19801
• 2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-1-benzopyran-4-one
• C.I. Natural Yellow 11 (VAN)
• C.I.Natural Yellow 8
• NSC19801
• EINECS 207-542-9
• NSC-19801
• UNII-8NFQ3F76WR
• BRN 0327474
• 8NFQ3F76WR
• Flavone, 2',3,4',5,7-pentahydroxy-
• CHEMBL28626
• AI3-38057
• MLS000069618
• CCRIS 8680
• CHEBI:75092
• 3,5 7 2 4-Pentahydroxyflavone
• 2',4',5,7-Tetrahydroxyflavonol
• 4H-1-Benzopyran-4-one, 2-2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxy-
• SMR000058259
• 2-[2,4-bis(oxidanyl)phenyl]-3,5,7-tris(oxidanyl)chromen-4-one
• 5-18-05-00492 (Beilstein Handbook Reference)
• MORIN, REAG
• SR-01000000157
• Morin anhydrous
• Flavone, 2',3,4',5,7-pentahydroxy-, monohydrate
• Natural Yellow 8
• Aluminum Ionophore I
• Spectrum_001234
• 4H-1-Benzopyran-4-one, 2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxy-, monohydrate
• regid855692
• Spectrum2_000715
• Spectrum3_001941
• Spectrum4_001924
• Spectrum5_000737
• MORIN [MI]
• D0NJ4H
• Lopac0_000776
• SCHEMBL19984
• BSPBio_003541
• GTPL411
• KBioGR_002268
• KBioSS_001714
• MLS006012034
• BIDD:ER0115
• DivK1c_000958
• SPECTRUM1502259
• SPBio_000929
• MEGxp0_001864
• Morin, p.a., 97.0%
• 2',3,5,7-Pentahydroxyflavone
• DTXSID1022398
• ACon1_000260
• BDBM26658
• cid_5281670
• HMS502P20
• KBio1_000958
• KBio2_001714
• KBio2_004282
• KBio2_006850
• KBio3_002824
• 2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxy-chromen-4-one
• 2',4',5,7-Pentahydroxyflavone
• 3,7,2',4'-Pentahydroxyflavone
• NINDS_000958
• YXOLAZRVSSWPPT-UHFFFAOYSA-N
• 2',5,7-Tetrahydroxyflavan-3-ol
• HMS1921P12
• HMS3262K14
• Flavone,3,4',5,7-pentahydroxy-
• HY-N0621
• Tox21_500776
• BBL036670
• CCG-39036
• LMPK12112517
• MFCD00006826
• s9110
• STL559049
• 2',3,4',5,7-pentahydroxy flavone
• 2',3,4',5,7-Pentahydroxy-Flavone
• AKOS001582671
• LP00776
• SDCCGMLS-0003296.P003
• SDCCGSBI-0050754.P003
• 2',4',5, 7-Tetrahydroxyflavan-3-ol
• IDI1_000958
• s10675
• SMP1_000199
• NCGC00015672-01
• NCGC00015672-02
• NCGC00015672-03
• NCGC00015672-04
• NCGC00015672-05
• NCGC00015672-06
• NCGC00015672-07
• NCGC00015672-08
• NCGC00015672-09
• NCGC00015672-10
• NCGC00015672-11
• NCGC00015672-12
• NCGC00015672-13
• NCGC00015672-14
• NCGC00015672-24
• NCGC00015672-25
• NCGC00022214-03
• NCGC00022214-04
• NCGC00022214-05
• NCGC00022214-06
• NCGC00022214-07
• NCGC00178000-01
• NCGC00178000-02
• NCGC00261461-01
• AC-34723
• BS-32477
• CI 75660
• LS-69029
• NCI60_001647
• CS-0009616
• EU-0100776
• FT-0628989
• P0041
• M 4008
• M-8200
• EN300-7400825
• A871995
• Q418224
• 2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxy-chromone
• 91A9D69E-FAB0-45CD-90E5-DEEFBADE86C1
• SR-01000000157-2
• SR-01000000157-6
• SR-01000000157-7
• BRD-K11590034-001-01-0
• Aluminum Ionophore I, Selectophore(TM), function tested
• 2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxy-1-benzopyran-4-one
• 2-(2,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one #
• 2-(2,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-1-benzopyran-4-one, 9CI

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
CHEMBL1293255	P15428	15-hydroxyprostaglandin dehydrogenase [NAD+]	31622.8 nM; 35481.3 nM	Potency; Potency	via CMAUP; via CMAUP
CHEMBL256	P0DMS8	Adenosine A3 receptor	34000 nM	Ki	PMID: 8691424
CHEMBL3577	P00352	Aldehyde dehydrogenase 1A1	19952.6 nM	Potency	via CMAUP
CHEMBL2903	P16050	Arachidonate 15-lipoxygenase	15848.9 nM	Potency	via CMAUP
CHEMBL5393	Q9UNQ0	ATP-binding cassette sub-family G member 2	49000 nM; 21000 nM	IC50; IC50	PMID: 21354800; PMID: 21354800
CHEMBL1293236	P46063	ATP-dependent DNA helicase Q1	28183.8 nM; 39810.7 nM; 15848.9 nM; 7079.5 nM	Potency; Potency; Potency; Potency	via CMAUP; via CMAUP; via CMAUP; via CMAUP
CHEMBL2487	P05067	Beta amyloid A4 protein	30300 nM	IC50	PMID: 26719209
CHEMBL4822	P56817	Beta-secretase 1	21700 nM; 12300 nM	IC50; IC50	DOI: 10.1007/s00044-012-0353-y; PMID: 21511472
CHEMBL1293237	P54132	Bloom syndrome protein	19952.6 nM; 19952.6 nM	Potency; Potency	via CMAUP; via CMAUP
CHEMBL4801	P29466	Caspase-1	39810.7 nM	Potency	via CMAUP
CHEMBL3468	P55210	Caspase-7	15848.9 nM	Potency	via CMAUP
CHEMBL4096	P04637	Cellular tumor antigen p53	3981.1 nM	Potency	via CMAUP
CHEMBL3397	P11712	Cytochrome P450 2C9	10000 nM	Potency	via CMAUP
CHEMBL340	P08684	Cytochrome P450 3A4	31622.8 nM; 31622.8 nM	Potency; Potency	via CMAUP; via CMAUP
CHEMBL2558	P53355	Death-associated protein kinase 1	11000 nM; 1600 nM	IC50; IC50	PMID: 26322379; PMID: 26322379
CHEMBL2392	P06746	DNA polymerase beta	562.3 nM; 562.3 nM; 4466.8 nM	Potency; Potency; Potency	via CMAUP; via Super-PRED; via CMAUP
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	5011.9 nM	Potency	via CMAUP
CHEMBL4159	Q99714	Endoplasmic reticulum-associated amyloid beta-peptide-binding protein	12589.3 nM; 12589.3 nM	Potency; Potency	via CMAUP; via CMAUP
CHEMBL242	Q92731	Estrogen receptor beta	2927.18 nM	IC50	via CMAUP
CHEMBL1293267	Q9HC97	G-protein coupled receptor 35	1600 nM	IC50	PMID: 24900447
CHEMBL1293299	Q03164	Histone-lysine N-methyltransferase MLL	35481.3 nM	Potency	via CMAUP
CHEMBL4361	Q07820	Induced myeloid leukemia cell differentiation protein Mcl-1	2988.26 nM	IC50	via CMAUP
CHEMBL1293226	B2RXH2	Lysine-specific demethylase 4D-like	28183.8 nM; 35481.3 nM; 25118.9 nM; 39810.7 nM	Potency; Potency; Potency; Potency	via CMAUP; via CMAUP; via CMAUP; via CMAUP
CHEMBL2608	P10253	Lysosomal alpha-glucosidase	3162.3 nM	Potency	via CMAUP
CHEMBL1293224	P10636	Microtubule-associated protein tau	112.2 nM; 12589.3 nM; 11220.2 nM; 15848.9 nM; 14125.4 nM; 15848.9 nM; 15848.9 nM; 12589.3 nM	Potency; Potency; Potency; Potency; Potency; Potency; Potency; Potency	via Super-PRED; via CMAUP; via CMAUP; via CMAUP; via CMAUP; via CMAUP; via CMAUP; via CMAUP
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	10000 nM; 10000 nM	Potency; Potency	via CMAUP; via CMAUP
CHEMBL2396508	Q13332	Receptor-type tyrosine-protein phosphatase S	4300 nM	IC50	PMID: 26602279
CHEMBL3024	P53350	Serine/threonine-protein kinase PLK1	12600 nM	IC50	PMID: 18762425
CHEMBL6120	Q96S37	Solute carrier family 22 member 12	2000 nM	IC50	PMID: 17325024
CHEMBL1293256	P40225	Thrombopoietin	3162.3 nM; 3162.3 nM	Potency; Potency	via CMAUP; via CMAUP
CHEMBL2599	P43405	Tyrosine-protein kinase SYK	28000 nM	IC50	PMID: 22257213
CHEMBL1075138	Q9NUW8	Tyrosyl-DNA phosphodiesterase 1	199.5 nM; 199.5 nM	Potency; Potency	via Super-PRED; via CMAUP
CHEMBL1293227	O75604	Ubiquitin carboxyl-terminal hydrolase 2	18492.7 nM	Potency	via CMAUP
CHEMBL1929	P47989	Xanthine dehydrogenase	10100 nM	IC50	PMID: 9461655

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	98.71%	91.11%
CHEMBL1951	P21397	Monoamine oxidase A	98.13%	91.49%
CHEMBL3194	P02766	Transthyretin	95.39%	90.71%
CHEMBL1806	P11388	DNA topoisomerase II alpha	94.72%	89.00%
CHEMBL2581	P07339	Cathepsin D	94.71%	98.95%
CHEMBL1929	P47989	Xanthine dehydrogenase	91.97%	96.12%
CHEMBL2345	P51812	Ribosomal protein S6 kinase alpha 3	91.94%	95.64%
CHEMBL242	Q92731	Estrogen receptor beta	91.83%	98.35%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	90.32%	95.56%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	85.90%	99.15%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	85.69%	94.00%
CHEMBL3401	O75469	Pregnane X receptor	85.51%	94.73%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	85.04%	90.71%
CHEMBL1293249	Q13887	Kruppel-like factor 5	84.96%	86.33%
CHEMBL2073	P07947	Tyrosine-protein kinase YES	83.55%	83.14%
CHEMBL4208	P20618	Proteasome component C5	82.82%	90.00%
CHEMBL3864	Q06124	Protein-tyrosine phosphatase 2C	81.70%	94.42%

Plants that contains it

• Agastache rugosa
• Aster spathulifolius
• Chrysanthemum morifolium
• Corydalis ochotensis
• Endosamara racemosa
• Erysimum diffusum
• Garcinia morella
• Garcinia multiflora
• Hedeoma multiflora
• Heliotropium amplexicaule
• Iberis amara
• Indigofera spicata
• Maclura cochinchinensis
• Maclura pomifera
• Maclura tricuspidata
• Morus alba
• Periploca calophylla
• Petasites formosanus
• Prumnopitys ferruginoides
• Psidium guajava
• Sophora tomentosa
• Tilia tomentosa
• Toxicodendron vernicifluum
• Zingiber officinale

Cross-Links

• PubChem: 5281670
• NPASS: NPC216361
• ChEMBL: CHEMBL28626
• LOTUS: LTS0113386
• wikiData: Q418224