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Morin

PubChem CID: 5281670

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Compound Synonyms morin, 480-16-0, Aurantica, 2',3,4',5,7-Pentahydroxyflavone, Calico Yellow, 2-(2,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one, Al-Morin, Toxylon Pomiferum, Bois d,Arc, Bois d'arc, C.I. Natural Yellow 8, Osage Orange Crystals, C.I. Natural Yellow 11, 2'-Hydroxypelargidenolon 1522, 3,5,7,2',4'-Pentahydroxyflavone, 3,5,7,2',4'-Pentahydroxyflavonol, C.I. 75660, Zlut prirodni 11, 2',4',3,5,7-Pentahydroxyflavone, 2',4',5,7-Tetrahydroxyflavan-3-ol, 2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one, 4H-1-Benzopyran-4-one, 2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxy-, Bois d'arc [French], Zlut prirodni 11 [Czech], NSC 19801, C.I.Natural Yellow 8, 2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-1-benzopyran-4-one, EINECS 207-542-9, 8NFQ3F76WR, NSC-19801, Aluminum Ionophore I, BRN 0327474, CCRIS 8680, Flavone, 2',3,4',5,7-pentahydroxy-, CHEBI:75092, AI3-38057, 2',4',5,7-Tetrahydroxyflavonol, NSC19801, MORIN [MI], 4H-1-Benzopyran-4-one, 2-2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxy-, CHEMBL28626, MLS000069618, DTXSID1022398, 3,5 7 2 4-Pentahydroxyflavone, 5-18-05-00492 (Beilstein Handbook Reference), SMR000058259, 2-[2,4-bis(oxidanyl)phenyl]-3,5,7-tris(oxidanyl)chromen-4-one, MORIN, REAG, SR-01000000157, UNII-8NFQ3F76WR, Morin anhydrous, AlMorin, Morin (Standard), 3,2',4',5,7-pentahydroxyflavone, MFCD00006826, Spectrum_001234, regid855692, Spectrum2_000715, Spectrum3_001941, Spectrum4_001924, Spectrum5_000737, Lopac0_000776, SCHEMBL19984, BSPBio_003541, GTPL411, KBioGR_002268, KBioSS_001714, MLS006012034, BIDD:ER0115, DivK1c_000958, SPECTRUM1502259, SPBio_000929, 2'Hydroxypelargidenolon 1522, DTXCID702398, MEGxp0_001864, Morin, p.a., 97.0%, 2',3,5,7-Pentahydroxyflavone, ACon1_000260, BDBM26658, cid_5281670, HMS502P20, HY-N0621R, 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, 2',4',5,7Tetrahydroxyflavan3ol, 2',5,7-Tetrahydroxyflavan-3-ol, HMS1921P12, HMS3262K14, 2',3,4',5,7Pentahydroxyflavone, 2',4',3,5,7Pentahydroxyflavone, 3,5,7,2',4'Pentahydroxyflavone, Flavone,3,4',5,7-pentahydroxy-, 3,5,7,2',4'Pentahydroxyflavonol, HY-N0621, Tox21_500776, BBL036670, CCG-39036, LMPK12112517, s9110, STL559049, 2',3,4',5,7-pentahydroxy flavone, 2',3,4',5,7-Pentahydroxy-Flavone, AKOS001582671, Flavone, 2',3,4',5,7pentahydroxy, 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, FM145255, NCI60_001647, DB-051497, CS-0009616, EU-0100776, NS00015830, P0041, M 4008, EN300-7400825, AK-693/40760142, 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, BRD-K11590034-002-02-6, BRD-K11590034-002-03-4, 2',3,4',5,7-Pentahydroxyflavone, C.I. No. 75660, Aluminum Ionophore I, Selectophore(TM), function tested, 4H1Benzopyran4one, 2(2,4dihydroxyphenyl)3,5,7trihydroxy, 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, 207-542-9, 684-856-6
Ghose Rule True
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 127.0
Hydrogen Bond Donor Count 5.0
Pfizer 3 75 Rule True
Scaffold Graph Level CC1CC(C2CCCCC2)CC2CCCCC12
Np Classifier Class Flavonols
Deep Smiles Occcccc6)O))cocccO)ccc6c=O)c%10O))))O
Heavy Atom Count 22.0
Classyfire Class Flavonoids
Description Constituent of various woods, e.g. Morus alba (white mulberry). First isol. in 1830. Morin is found in many foods, some of which are blackcurrant, european cranberry, bilberry, and fruits.
Scaffold Graph Node Level OC1CC(C2CCCCC2)OC2CCCCC12
Classyfire Subclass Flavones
Isotope Atom Count 0.0
Molecular Complexity 488.0
Database Name cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Uniprot Id P22309, P25099, P30543, P0DMS8, P28647, Q7ZJM1, Q04760, P00760, Q965D7, Q965D5, Q965D6, P11309, Q3ZAV1, Q96S37, Q9S446, P47989, n.a., Q92887, P11388, P53350, Q03164, P19838, P46063, Q27686, B2RXH2, Q99714, P55210, Q9NUW8, P10636, P0A6C1, P00352, Q92731, P16050, P27695, Q07820, P54132, P15428, P08482, P40225, P29466, P04637, P10253, P06746, P08684, O75604, P11712, Q9UNQ0, Q92830, O15648, Q99549, P21728, P13267, Q96KQ7, P83916, P07378, Q9UIF8, Q13526, Q13951, P39748, P56817, O89049, P49798, Q9UNA4, Q9Y253, Q12809, Q9UBT6, O94782, P03126, Q9HC97, P33527, P11064, O94956, Q9NPD5, Q9Y6L6, O42275, P81908, P43405, P07265, Q86831, Q9BUF5, Q9NR56, O00167, P00591, P53355, P19784, Q13332, P05067, Q15118, P18858, Q8CM62, Q8NEV1, Q16762, Q7BGE6, P61604, P0A6F5, P0DTD1, P07947, Q8WTS6, P09467, P29372
Iupac Name 2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxychromen-4-one
Prediction Hob 0.0
Class Flavonoids
Veber Rule True
Classyfire Superclass Phenylpropanoids and polyketides
Target Id NPT218, NPT1566, NPT5234, NPT967, NPT831, NPT163, NPT47, NPT48, NPT149, NPT1038, NPT1226, NPT50, NPT51, NPT94, NPT248, NPT792, NPT49, NPT57, NPT58, NPT151, NPT96, NPT277, NPT539, NPT60, NPT59, NPT109, NPT45, NPT212, NPT1422, NPT740, NPT1627, NPT1449, NPT1721, NPT2715, NPT78, NPT1663, NPT1385, NPT1670
Xlogp 1.5
Superclass Phenylpropanoids and polyketides
Subclass Flavones
Gsk 4 400 Rule True
Molecular Formula C15H10O7
Scaffold Graph Node Bond Level O=c1cc(-c2ccccc2)oc2ccccc12
Prediction Swissadme 0.0
Inchi Key YXOLAZRVSSWPPT-UHFFFAOYSA-N
Silicos It Class Soluble
Fcsp3 0.0
Logs -3.497
Rotatable Bond Count 1.0
State Solid
Logd 1.942
Synonyms 2-(2,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-1-benzopyran-4-one, 2-(2,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-1-benzopyran-4-one, 9CI, 2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one, 2'-Hydroxypelargidenolon 1522, 2',3,4',5,7-Pentahydroxy-flavone, 2',3,4',5,7-Pentahydroxyflavone, 2',4',3,5,7-Pentahydroxyflavone, 2',4',5, 7-Tetrahydroxyflavan-3-ol, 2',4',5,7-Tetrahydroxyflavan-3-ol, 2',4',5,7-Tetrahydroxyflavonol, 3,5 7 2 4-Pentahydroxyflavone, 3,5,7,2',4'-Pentahydroxyflavone, 3,5,7,2',4'-Pentahydroxyflavonol, Al-morin, Aurantica, Bois d,arc, C.I. 75660, C.I. Natural yellow 11, C.I. Natural yellow 8, C.I.Natural yellow 8, Calico yellow, Flavone, 2',3, 4',5,7-pentahydroxy-, Flavone, 2',3,4',5,7-pentahydroxy-, Morin, Morin hydrate, Morin, reag, Osage orange, Osage orange crystals, Osage orange extract, Toxylon pomiferum, 2-(2,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-1-benzopyran-4-one, 9ci, 2-(2,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one, Bois D,arc, C.I. natural yellow 11, C.I. natural yellow 8, calico Yellow, 3,2',4',5,7-Pentahydroxyflavone, morin, morin (3,5,7,2'-4'pentahydroxyflavone)
Substituent Name 3-hydroxyflavone, Hydroxyflavonoid, 7-hydroxyflavonoid, 5-hydroxyflavonoid, 4'-hydroxyflavonoid, 3-hydroxyflavonoid, Chromone, 1-benzopyran, Benzopyran, Resorcinol, Pyranone, Phenol, Benzenoid, Pyran, Monocyclic benzene moiety, Heteroaromatic compound, Vinylogous acid, Polyol, Oxacycle, Organoheterocyclic compound, Hydrocarbon derivative, Organooxygen compound, Aromatic heteropolycyclic compound
Esol Class Soluble
Functional Groups c=O, cO, coc
Compound Name Morin
Kingdom Organic compounds
Prediction Hob Swissadme 0.0
Exact Mass 302.043
Formal Charge 0.0
Monoisotopic Mass 302.043
Hydrogen Bond Acceptor Count 7.0
Molecular Weight 302.23
Gi Absorption True
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Molecular Framework Aromatic heteropolycyclic compounds
Lipinski Rule Of 5 True
Esol -3.187757418181818
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
Smiles C1=CC(=C(C=C1O)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O
Nring 3.0
Np Classifier Biosynthetic Pathway Shikimates and Phenylpropanoids
Defined Bond Stereocenter Count 0.0
Egan Rule True
Taxonomy Direct Parent Flavonols
Np Classifier Superclass Flavonoids

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