8-[5-(5,7-Dihydroxy-4-oxochromen-2-yl)-2-hydroxyphenyl]-5,6,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one
PubChem CID: 24936074
Connections displayed (default: 10).
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| Compound Synonyms | CHEMBL270509, SCHEMBL13980979 |
|---|---|
| Topological Polar Surface Area | 194.0 |
| Hydrogen Bond Donor Count | 7.0 |
| Heavy Atom Count | 41.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1080.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 8-[5-(5,7-dihydroxy-4-oxochromen-2-yl)-2-hydroxyphenyl]-5,6,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one |
| Prediction Hob | 0.0 |
| Xlogp | 4.7 |
| Molecular Formula | C30H18O11 |
| Prediction Swissadme | 0.0 |
| Inchi Key | BCTLOSNRPJXRNV-UHFFFAOYSA-N |
| Fcsp3 | 0.0 |
| Logs | -4.43 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.257 |
| Compound Name | 8-[5-(5,7-Dihydroxy-4-oxochromen-2-yl)-2-hydroxyphenyl]-5,6,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 554.085 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 554.085 |
| Hydrogen Bond Acceptor Count | 11.0 |
| Molecular Weight | 554.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.610231575609758 |
| Inchi | InChI=1S/C30H18O11/c31-14-4-1-12(2-5-14)21-11-20(36)26-28(38)29(39)27(37)24(30(26)41-21)16-7-13(3-6-17(16)33)22-10-19(35)25-18(34)8-15(32)9-23(25)40-22/h1-11,31-34,37-39H |
| Smiles | C1=CC(=CC=C1C2=CC(=O)C3=C(C(=C(C(=C3O2)C4=C(C=CC(=C4)C5=CC(=O)C6=C(C=C(C=C6O5)O)O)O)O)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