Erylatissin B
PubChem CID: 11186717
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| Compound Synonyms | Erylatissin B, CHEBI:65864, 7,8'-dihydroxy-2',2'-dimethyl-2'H,4H-3,6'-bichromen-4-one, 7,3'-dihydroxy-6'',6''-dimethyl-4'',5''-dehydropyrano [2'',3'': 4',5']isoflavone, 7-hydroxy-3-(8-hydroxy-2,2-dimethylchromen-6-yl)chromen-4-one, 7,3'-Dihydroxy-6'',6''-dimethyl-4'',5''-dehydropyrano (2'',3'': 4',5')isoflavone, CHEMBL4064250, Q27134356, 7,3'-Dihydroxy-6'',6''-dimethyl-4'',5''-dehydropyrano(2'',3'': 4',5')isoflavone, 847976-82-3 |
|---|---|
| Topological Polar Surface Area | 76.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 607.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 7-hydroxy-3-(8-hydroxy-2,2-dimethylchromen-6-yl)chromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.4 |
| Molecular Formula | C20H16O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | XOMNYGJNLZNDOL-UHFFFAOYSA-N |
| Fcsp3 | 0.15 |
| Logs | -7.007 |
| Rotatable Bond Count | 1.0 |
| Logd | 6.828 |
| Compound Name | Erylatissin B |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 336.1 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 336.1 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 336.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.9709266000000003 |
| Inchi | InChI=1S/C20H16O5/c1-20(2)6-5-11-7-12(8-16(22)19(11)25-20)15-10-24-17-9-13(21)3-4-14(17)18(15)23/h3-10,21-22H,1-2H3 |
| Smiles | CC1(C=CC2=C(O1)C(=CC(=C2)C3=COC4=C(C3=O)C=CC(=C4)O)O)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Erythrina Latissima (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Glycyrrhiza Inflata (Plant) Rel Props:Source_db:cmaup_ingredients