Phelligridin C
PubChem CID: 10248188
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| Compound Synonyms | PHELLIGRIDIN C, 8,9-dihydroxy-3-[(E)-2-(4-hydroxyphenyl)ethenyl]pyrano[4,3-c]isochromene-1,6-dione, 8,9-dihydroxy-3-((E)-2-(4-hydroxyphenyl)ethenyl)pyrano(4,3-c)isochromene-1,6-dione, CHEMBL520568, CHEBI:208405 |
|---|---|
| Topological Polar Surface Area | 113.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 27.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 727.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 8,9-dihydroxy-3-[(E)-2-(4-hydroxyphenyl)ethenyl]pyrano[4,3-c]isochromene-1,6-dione |
| Prediction Hob | 1.0 |
| Xlogp | 2.8 |
| Molecular Formula | C20H12O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | PHNDPMPVQSECSJ-ZZXKWVIFSA-N |
| Fcsp3 | 0.0 |
| Logs | -3.765 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.71 |
| Compound Name | Phelligridin C |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 364.058 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 364.058 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 364.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -3.3716639481481487 |
| Inchi | InChI=1S/C20H12O7/c21-11-4-1-10(2-5-11)3-6-12-7-17-18(20(25)26-12)13-8-15(22)16(23)9-14(13)19(24)27-17/h1-9,21-23H/b6-3+ |
| Smiles | C1=CC(=CC=C1/C=C/C2=CC3=C(C4=CC(=C(C=C4C(=O)O3)O)O)C(=O)O2)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;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Tanacetum Parthenium (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all