Phellifuropyranone A
PubChem CID: 24770409
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| Compound Synonyms | Phellifuropyranone A, 2-(3,4-dihydroxyphenyl)-6-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]furo[3,2-c]pyran-4-one, 2-(3,4-dihydroxyphenyl)-6-((E)-2-(3,4-dihydroxyphenyl)ethenyl)furo(3,2-c)pyran-4-one, CHEBI:215299, 2-(3,4-dihydroxyphenyl)-6-(2'-(3,4-dihydroxyphenyl)-e-ethenyl)-furo[3,2-c]pyran-4-one, 2-(3,4-dihydroxyphenyl)-6-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]uro[3,2-c]pyran-4-one, 1015410-08-8 |
|---|---|
| Topological Polar Surface Area | 120.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 28.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 645.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(3,4-dihydroxyphenyl)-6-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]furo[3,2-c]pyran-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.5 |
| Molecular Formula | C21H14O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | LYKVAAQTDREPSC-DAFODLJHSA-N |
| Fcsp3 | 0.0 |
| Logs | -3.726 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.514 |
| Compound Name | Phellifuropyranone A |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 378.074 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 378.074 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 378.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -4.0420832 |
| Inchi | InChI=1S/C21H14O7/c22-15-5-2-11(7-17(15)24)1-4-13-9-20-14(21(26)27-13)10-19(28-20)12-3-6-16(23)18(25)8-12/h1-10,22-25H/b4-1+ |
| Smiles | C1=CC(=C(C=C1/C=C/C2=CC3=C(C=C(O3)C4=CC(=C(C=C4)O)O)C(=O)O2)O)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Commiphora Mukul (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Tanacetum Parthenium (Plant) Rel Props:Source_db:cmaup_ingredients