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Morindone

PubChem CID: 442756

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Compound Synonyms Morindone, 478-29-5, 9,10-Anthracenedione, 1,2,5-trihydroxy-6-methyl-, 1,2,5-trihydroxy-6-methylanthracene-9,10-dione, PB6GBU5T6V, DTXSID80197280, C10376, 1,2,5-Trihydroxy-6-methyl-9,10-anthracenedione, 1,2,5-trihydroxy-6-methyl-anthracene-9,10-dione, AC1L9DCT, Morindon, UNII-PB6GBU5T6V, SureCN10909836, CHEBI:7000, SCHEMBL10909836, 1,5,6-TRIHYDROXY-2-METHYL-ANTHRACENE-9,10-DIONE, DTXCID90119771, 1,2,5-trihydroxy-6-methylanthraquinone, C.I. 75430, NS00031727, ANTHRAQUINONE, 1,2,5-TRIHYDROXY-6-METHYL-, Q6912244, 1,2,5-TRIHYDROXY-6-METHYL-9,10-DIHYDROANTHRACENE-9,10-DIONE, 610-385-2
Ghose Rule True
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 94.8
Hydrogen Bond Donor Count 3.0
Pfizer 3 75 Rule True
Scaffold Graph Level CC1C2CCCCC2C(C)C2CCCCC12
Np Classifier Class Anthraquinones and anthrones
Deep Smiles Ccccccc6O))C=O)ccC6=O))cO)ccc6))O
Heavy Atom Count 20.0
Classyfire Class Anthracenes
Scaffold Graph Node Level OC1C2CCCCC2C(O)C2CCCCC12
Classyfire Subclass Anthraquinones
Isotope Atom Count 0.0
Molecular Complexity 434.0
Database Name cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name 1,2,5-trihydroxy-6-methylanthracene-9,10-dione
Prediction Hob 1.0
Veber Rule True
Classyfire Superclass Benzenoids
Xlogp 3.3
Gsk 4 400 Rule True
Molecular Formula C15H10O5
Scaffold Graph Node Bond Level O=C1c2ccccc2C(=O)c2ccccc21
Prediction Swissadme 0.0
Inchi Key BATFHSIVMJJJAF-UHFFFAOYSA-N
Silicos It Class Soluble
Fcsp3 0.0666666666666666
Logs -3.745
Rotatable Bond Count 0.0
Logd 2.178
Synonyms morindone
Esol Class Moderately soluble
Functional Groups cC(c)=O, cO
Compound Name Morindone
Prediction Hob Swissadme 0.0
Exact Mass 270.053
Formal Charge 0.0
Monoisotopic Mass 270.053
Hydrogen Bond Acceptor Count 5.0
Molecular Weight 270.24
Gi Absorption True
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Lipinski Rule Of 5 True
Esol -4.019588
Inchi InChI=1S/C15H10O5/c1-6-2-3-7-10(12(6)17)13(18)8-4-5-9(16)15(20)11(8)14(7)19/h2-5,16-17,20H,1H3
Smiles CC1=C(C2=C(C=C1)C(=O)C3=C(C2=O)C=CC(=C3O)O)O
Nring 3.0
Np Classifier Biosynthetic Pathway Polyketides
Defined Bond Stereocenter Count 0.0
Egan Rule True
Np Classifier Superclass Polycyclic aromatic polyketides