2',8'-Biapigenin
PubChem CID: 11958336
Connections displayed (default: 10).
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| Compound Synonyms | 2',8'-Biapigenin, CHEMBL271347, SCHEMBL13980977 |
|---|---|
| Topological Polar Surface Area | 174.0 |
| Hydrogen Bond Donor Count | 6.0 |
| Heavy Atom Count | 40.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1050.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 8-[2-(5,7-dihydroxy-4-oxochromen-2-yl)-5-hydroxyphenyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one |
| Prediction Hob | 0.0 |
| Xlogp | 5.0 |
| Molecular Formula | C30H18O10 |
| Prediction Swissadme | 0.0 |
| Inchi Key | IDXPHFRRYHNPFG-UHFFFAOYSA-N |
| Fcsp3 | 0.0 |
| Logs | -5.267 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.457 |
| Compound Name | 2',8'-Biapigenin |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 538.09 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 538.09 |
| Hydrogen Bond Acceptor Count | 10.0 |
| Molecular Weight | 538.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.7522768000000015 |
| Inchi | InChI=1S/C30H18O10/c31-14-3-1-13(2-4-14)24-11-23(38)29-21(36)10-20(35)27(30(29)40-24)18-7-15(32)5-6-17(18)25-12-22(37)28-19(34)8-16(33)9-26(28)39-25/h1-12,31-36H |
| Smiles | C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)C4=C(C=CC(=C4)O)C5=CC(=O)C6=C(C=C(C=C6O5)O)O)O |
| Nring | 6.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Selaginella Pulvinata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Selaginella Tamariscina (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all