Saropyrone
PubChem CID: 10401833
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Saropyrone, 159650-12-1, 6-(3,4-dihydroxyphenyl)-2,3,3-trimethyl-2H-furo[3,2-c]pyran-4-one, 6-(3,4-Dihydroxyphenyl)-2,3,3-trimethyl-2,3-dihydro-4H-furo[3,2-c]pyran-4-one, starbld0008916, JGA65012, AKOS040762301, 6-(3,4-dihydroxyphenyl)-2,3-dihydro-2,3,3-trimethyl-4h-furo[3,2-c]pyran-4-one, CS-0149444 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 76.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | True |
| Scaffold Graph Level | CC1CC(C2CCCCC2)CC2CCCC12 |
| Deep Smiles | CCOccC5C)C))c=O)occ6)cccccc6)O))O |
| Heavy Atom Count | 21.0 |
| Classyfire Class | Phenols |
| Scaffold Graph Node Level | OC1OC(C2CCCCC2)CC2OCCC12 |
| Classyfire Subclass | Benzenediols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 531.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6-(3,4-dihydroxyphenyl)-2,3,3-trimethyl-2H-furo[3,2-c]pyran-4-one |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 2.7 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C16H16O5 |
| Scaffold Graph Node Bond Level | O=c1oc(-c2ccccc2)cc2c1CCO2 |
| Inchi Key | ONBNNXIPKYXCPC-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | saropyrone |
| Esol Class | Soluble |
| Functional Groups | c=O, cO, cOC, coc |
| Compound Name | Saropyrone |
| Exact Mass | 288.1 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 288.1 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 288.29 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C16H16O5/c1-8-16(2,3)14-13(20-8)7-12(21-15(14)19)9-4-5-10(17)11(18)6-9/h4-8,17-18H,1-3H3 |
| Smiles | CC1C(C2=C(O1)C=C(OC2=O)C3=CC(=C(C=C3)O)O)(C)C |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Hypericum Japonicum (Plant) Rel Props:Reference:ISBN:9788172362300