Norsolorinic acid
PubChem CID: 25102
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| Compound Synonyms | Norsolorinic acid, 10254-99-6, UNII-Q1W7A6D0J6, norsolorinate, 2-Hexanoyl-1,3,6,8-tetrahydroxyanthraquinone, NSC 138557, BRN 2065177, Q1W7A6D0J6, 2-hexanoyl-1,3,6,8-tetrahydroxyanthracene-9,10-dione, 9,10-Anthracenedione, 1,3,6,8-tetrahydroxy-2-(1-oxohexyl)-, NSC-138557, 2-hexanoyl-1,3,6,8-tetrahydroxy-9,10-anthraquinone, ANTHRAQUINONE, 2-HEXANOYL-1,3,6,8-TETRAHYDROXY-, CHEBI:71356, DTXSID00145263, NSC138557, 2-N-HEXANOYL-1,3,6,8-TETRAHYDROXY ANTHRAQUINONE, 1,3,6,8-TETRAHYDROXY-2-(1-OXOHEXYL)-9,10-ANTHRACENEDIONE, NORSOLORINICACID, DTXCID1067754, Anthraquinone,3,6,8-tetrahydroxy-, NS00134350, 2-Hexanoyl-1,3,6,8-tetrahydroxy-anthraquinone, 9, 1,3,6,8-tetrahydroxy-2-(1-oxohexyl)-, C20452, Cyclohexanone, peroxide, mixt. with 2-butanone, WLN: L C666 BV IVJ DQ EV5 FQ LQ NQ, Q27139538, 2-hexanoyl-1,3,6,8-tetrahydroxy-anthracene-9,10-dione, 9,10-Anthracenedione, 1,3,6,8-tetrahydroxy-2-(1-oxohexyl)-(9CI), 78371-59-2 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 132.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1C2CCCCC2C(C)C2CCCCC12 |
| Np Classifier Class | Anthraquinones and anthrones |
| Deep Smiles | CCCCCC=O)ccO)cccc6O))C=O)ccC6=O))cccc6O)))O |
| Heavy Atom Count | 27.0 |
| Classyfire Class | Anthracenes |
| Scaffold Graph Node Level | OC1C2CCCCC2C(O)C2CCCCC12 |
| Classyfire Subclass | Anthraquinones |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 603.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-hexanoyl-1,3,6,8-tetrahydroxyanthracene-9,10-dione |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 4.1 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C20H18O7 |
| Scaffold Graph Node Bond Level | O=C1c2ccccc2C(=O)c2ccccc21 |
| Inchi Key | XIJDBHLQUYAZJI-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 5.0 |
| Synonyms | norsolorinic acid |
| Esol Class | Moderately soluble |
| Functional Groups | cC(C)=O, cC(c)=O, cO |
| Compound Name | Norsolorinic acid |
| Exact Mass | 370.105 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 370.105 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 370.4 |
| 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/C20H18O7/c1-2-3-4-5-12(22)17-14(24)8-11-16(20(17)27)19(26)15-10(18(11)25)6-9(21)7-13(15)23/h6-8,21,23-24,27H,2-5H2,1H3 |
| Smiles | CCCCCC(=O)C1=C(C=C2C(=C1O)C(=O)C3=C(C2=O)C=C(C=C3O)O)O |
| Np Classifier Biosynthetic Pathway | Polyketides |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Np Classifier Superclass | Polycyclic aromatic polyketides |
- 1. Outgoing r'ship
FOUND_INto/from Cinchona Calisaya (Plant) Rel Props:Reference:ISBN:9788172361792