Atroviridin
PubChem CID: 11267348
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| Compound Synonyms | Atroviridin, 207984-34-7, 5,8,12-trihydroxy-2,2-dimethylpyrano[3,2-b]xanthen-6-one, 5,8,12-trihydroxy-2,2-dimethyl-2,6-dihydro-1,11-dioxatetracen-6-one, 5,8,12-trihydroxy-2,2-dimethylpyrano(3,2-b)xanthen-6-one, CHEMBL4218812, CHEBI:174366, 5,8,12-Trihydroxy-2,2-dimethyl-2H,6H-Pyrano[3,2-b]xanthen-6-one |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 96.2 |
| Hydrogen Bond Donor Count | 3.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1C2CCCCC2CC2CC3CCCCC3CC21 |
| Np Classifier Class | Plant xanthones |
| Deep Smiles | Occcccc6)c=O)cco6)cO)ccc6O))C=CCO6)C)C |
| Heavy Atom Count | 24.0 |
| Classyfire Class | Benzopyrans |
| Description | Constituent of Garcinia atroviridis (gelugor). Atroviridin is found in fruits. |
| Scaffold Graph Node Level | OC1C2CCCCC2OC2CC3OCCCC3CC21 |
| Classyfire Subclass | 1-benzopyrans |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 558.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5,8,12-trihydroxy-2,2-dimethylpyrano[3,2-b]xanthen-6-one |
| Class | Benzopyrans |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 3.4 |
| Superclass | Organoheterocyclic compounds |
| Subclass | 1-benzopyrans |
| Gsk 4 400 Rule | True |
| Molecular Formula | C18H14O6 |
| Scaffold Graph Node Bond Level | O=c1c2ccccc2oc2cc3c(cc12)C=CCO3 |
| Inchi Key | LPOCFPIHJNBUIN-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 0.0 |
| State | Solid |
| Synonyms | Atroviridin, 3b-Cycloart-5-ene-3,25-diol, 3Β-cycloart-5-ene-3,25-diol, atroviridin |
| Substituent Name | Pyranoxanthone, Pyranochromene, 2,2-dimethyl-1-benzopyran, Chromone, Hydroquinone, Pyranone, Alkyl aryl ether, Benzenoid, Pyran, Heteroaromatic compound, Vinylogous acid, Polyol, Oxacycle, Ether, Hydrocarbon derivative, Organooxygen compound, Aromatic heteropolycyclic compound |
| Esol Class | Moderately soluble |
| Functional Groups | c=O, cC=CC, cO, cOC, coc |
| Compound Name | Atroviridin |
| Kingdom | Organic compounds |
| Exact Mass | 326.079 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 326.079 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 326.3 |
| 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 |
| Inchi | InChI=1S/C18H14O6/c1-18(2)6-5-9-13(20)12-14(21)10-7-8(19)3-4-11(10)23-17(12)15(22)16(9)24-18/h3-7,19-20,22H,1-2H3 |
| Smiles | CC1(C=CC2=C(C3=C(C(=C2O1)O)OC4=C(C3=O)C=C(C=C4)O)O)C |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Pyranoxanthones |
| Np Classifier Superclass | Xanthones |
- 1. Outgoing r'ship
FOUND_INto/from Garcinia Atroviridis (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279