Euphorbetin
PubChem CID: 5317297
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| Compound Synonyms | Euphorbetin, 35897-99-5, 5-(6,7-dihydroxy-2-oxochromen-5-yl)-6,7-dihydroxychromen-2-one, SCHEMBL18172254, HY-N7671, AKOS040763728, DA-73256, CS-0135174 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 134.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Pfizer 3 75 Rule | True |
| Scaffold Graph Level | CC1CCC2C(CCCC2C2CCCC3CC(C)CCC32)C1 |
| Np Classifier Class | Simple coumarins |
| Deep Smiles | O=ccccco6)cccc6ccO)cO)ccc6ccc=O)o6)))))))))))O))O |
| Heavy Atom Count | 26.0 |
| Classyfire Class | Benzene and substituted derivatives |
| Scaffold Graph Node Level | OC1CCC2C(CCCC2C2CCCC3OC(O)CCC32)O1 |
| Classyfire Subclass | Biphenols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 602.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-(6,7-dihydroxy-2-oxochromen-5-yl)-6,7-dihydroxychromen-2-one |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 2.1 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C18H10O8 |
| Scaffold Graph Node Bond Level | O=c1ccc2c(-c3cccc4oc(=O)ccc34)cccc2o1 |
| Inchi Key | MFAPGDLENWJYSK-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | euphorbetin |
| Esol Class | Soluble |
| Functional Groups | c=O, cO, coc |
| Compound Name | Euphorbetin |
| Exact Mass | 354.038 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 354.038 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 354.3 |
| 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/C18H10O8/c19-9-5-11-7(1-3-13(21)25-11)15(17(9)23)16-8-2-4-14(22)26-12(8)6-10(20)18(16)24/h1-6,19-20,23-24H |
| Smiles | C1=CC(=O)OC2=C1C(=C(C(=C2)O)O)C3=C(C(=CC4=C3C=CC(=O)O4)O)O |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Np Classifier Superclass | Coumarins |
- 1. Outgoing r'ship
FOUND_INto/from Euphorbia Lathyris (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279