5,6-Dihydroxy-2-(2',4',6'-trihydroxyphenyl)benzofuran-3-carboxylic acid
PubChem CID: 44260115
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| Compound Synonyms | Norwedelic acid, 100288-12-8, 5,6-Dihydroxy-2-(2',4',6'-trihydroxyphenyl)benzofuran-3-carboxylic acid, DTXSID90658074, LMPK12160052, 5,6-Dihydroxy-2-(2,4,6-trihydroxyphenyl)-1-benzofuran-3-carboxylic acid, 3-Benzofurancarboxylic acid, 5,6-dihydroxy-2-(2,4,6-trihydroxyphenyl)- |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 152.0 |
| Hydrogen Bond Donor Count | 6.0 |
| Pfizer 3 75 Rule | True |
| Scaffold Graph Level | C1CCC(C2CC3CCCCC3C2)CC1 |
| Np Classifier Class | 2-arylbenzofurans, Coumestan |
| Deep Smiles | OcccO)ccc6)O))coccc5C=O)O)))cccc6)O))O |
| Heavy Atom Count | 23.0 |
| Classyfire Class | 2-arylbenzofuran flavonoids |
| Scaffold Graph Node Level | C1CCC(C2CC3CCCCC3O2)CC1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 445.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5,6-dihydroxy-2-(2,4,6-trihydroxyphenyl)-1-benzofuran-3-carboxylic acid |
| Veber Rule | False |
| Classyfire Superclass | Phenylpropanoids and polyketides |
| Xlogp | 1.7 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C15H10O8 |
| Scaffold Graph Node Bond Level | c1ccc(-c2cc3ccccc3o2)cc1 |
| Inchi Key | OYMZVRJQIIYPTP-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | norwedelic acid |
| Esol Class | Soluble |
| Functional Groups | cC(=O)O, cO, coc |
| Compound Name | 5,6-Dihydroxy-2-(2',4',6'-trihydroxyphenyl)benzofuran-3-carboxylic acid |
| Exact Mass | 318.038 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 318.038 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 318.23 |
| Gi Absorption | False |
| 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/C15H10O8/c16-5-1-9(19)13(10(20)2-5)14-12(15(21)22)6-3-7(17)8(18)4-11(6)23-14/h1-4,16-20H,(H,21,22) |
| Smiles | C1=C(C=C(C(=C1O)C2=C(C3=CC(=C(C=C3O2)O)O)C(=O)O)O)O |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Np Classifier Superclass | Isoflavonoids |
- 1. Outgoing r'ship
FOUND_INto/from Sphagneticola Calendulacea (Plant) Rel Props:Reference:ISBN:9788172361792