Isosojagol
PubChem CID: 16744613
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| Compound Synonyms | Isosojagol, 94390-15-5, OVN16630N9, UNII-OVN16630N9, 3,9-Dihydroxy-10-prenylcoumestan, 3,9-dihydroxy-10-(3-methylbut-2-enyl)-[1]benzofuro[3,2-c]chromen-6-one, 6H-Benzofuro(3,2-C)(1)benzopyran-6-one, 3,9-dihydroxy-10-(3-methyl-2-buten-1-yl)-, 6H-Benzofuro(3,2-C)(1)benzopyran-6-one, 3,9-dihydroxy-10-(3-methyl-2-butenyl)-, CHEMBL1094311, CHEBI:142265, DTXSID701135974, LMPK12090009, 3,9-Dihydroxy-10-(3-methyl-2-butenyl)-6H-benzofuro[3,2-c][1]benzopyran-6-one, Q27285868, 3,9-Dihydroxy-10-(3-methyl-2-buten-1-yl)-6H-benzofuro[3,2-c][1]benzopyran-6-one, 3,9-Dihydroxy-10-(3-methyl-2-butenyl)-6H-benzofuro[3,2-c][1]benzopyran-6-one, 9CI, 3,9-dihydroxy-10-(3-methylbut-2-en-1-yl)-6H-[1]benzofuro[3,2-c]chromen-6-one |
|---|---|
| Prediction Swissadme | 0.0 |
| Topological Polar Surface Area | 79.9 |
| Hydrogen Bond Donor Count | 2.0 |
| Inchi Key | MQKLGUOASGICKG-UHFFFAOYSA-N |
| Fcsp3 | 0.15 |
| Rotatable Bond Count | 2.0 |
| Synonyms | 3,9-Dihydroxy-10-(3-methyl-2-butenyl)-6H-benzofuro[3,2-c][1]benzopyran-6-one, 9CI, 3,9-Dihydroxy-10-prenylcoumestan |
| Heavy Atom Count | 25.0 |
| Compound Name | Isosojagol |
| Description | Constituent of Phaseolus coccineus (canary grass). Isosojagol is found in pulses and scarlet bean. |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 336.1 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 336.1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 554.0 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 336.3 |
| Database Name | cmaup_ingredients;fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,9-dihydroxy-10-(3-methylbut-2-enyl)-[1]benzofuro[3,2-c]chromen-6-one |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Prediction Hob | 1.0 |
| Esol | -5.5473266 |
| Inchi | InChI=1S/C20H16O5/c1-10(2)3-5-12-15(22)8-7-14-17-19(25-18(12)14)13-6-4-11(21)9-16(13)24-20(17)23/h3-4,6-9,21-22H,5H2,1-2H3 |
| Smiles | CC(=CCC1=C(C=CC2=C1OC3=C2C(=O)OC4=C3C=CC(=C4)O)O)C |
| Xlogp | 4.7 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C20H16O5 |
- 1. Outgoing r'ship
FOUND_INto/from Erythrina Abyssinica (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Glycyrrhiza Inflata (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Phaseolus Coccineus (Plant) Rel Props:Source_db:fooddb_chem_all