3-Hydroxymorindone
PubChem CID: 86012754
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| Compound Synonyms | 3-hydroxymorindone, 80368-74-7, 3-Hydroxy-morindone, 1,3,5,6-Tetrahydroxy-2-methylanthracene-9,10-dione, SCHEMBL17867452, HY-N7894, AKOS040760213, FS-6851, DA-49604, CS-0138758, E88641 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 115.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Pfizer 3 75 Rule | True |
| Scaffold Graph Level | CC1C2CCCCC2C(C)C2CCCCC12 |
| Np Classifier Class | Anthraquinones and anthrones |
| Deep Smiles | Occcccc6O))C=O)ccC6=O))cO)ccc6)O))C |
| Heavy Atom Count | 21.0 |
| Classyfire Class | Anthracenes |
| Scaffold Graph Node Level | OC1C2CCCCC2C(O)C2CCCCC12 |
| Classyfire Subclass | Anthraquinones |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 463.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,3,5,6-tetrahydroxy-2-methylanthracene-9,10-dione |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 2.9 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C15H10O6 |
| Scaffold Graph Node Bond Level | O=C1c2ccccc2C(=O)c2ccccc21 |
| Inchi Key | JCZGUFVZKUDRMM-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | 3-hydroxymorindone, morindone, 3-hydroxy |
| Esol Class | Soluble |
| Functional Groups | cC(c)=O, cO |
| Compound Name | 3-Hydroxymorindone |
| Exact Mass | 286.048 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 286.048 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 286.24 |
| 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 |
| Inchi | InChI=1S/C15H10O6/c1-5-9(17)4-7-11(12(5)18)13(19)6-2-3-8(16)15(21)10(6)14(7)20/h2-4,16-18,21H,1H3 |
| Smiles | CC1=C(C=C2C(=C1O)C(=O)C3=C(C2=O)C(=C(C=C3)O)O)O |
| Np Classifier Biosynthetic Pathway | Polyketides |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Polycyclic aromatic polyketides |
- 1. Outgoing r'ship
FOUND_INto/from Morinda Citrifolia (Plant) Rel Props:Reference:ISBN:9780896038776; ISBN:9788172361792