Isodispar B
PubChem CID: 6483316
Connections displayed (default: 10).
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| Compound Synonyms | ISODISPAR B, CHEMBL198873, BDBM50172747, HY-N10304, CS-0373938, 5,7-Dihydroxy-8-(3-methyl-butyryl)-4-phenyl-chromen-2-one, 5,7-dihydroxy-8-(3-methylbutanoyl)-4-phenyl-chromen-2-one, 2H-1-Benzopyran-2-one, 5,7-dihydroxy-8-(3-methyl-1-oxobutyl)-4-phenyl-, 98192-64-4, InChI=1/C20H18O5/c1-11(2)8-14(21)19-16(23)10-15(22)18-13(9-17(24)25-20(18)19)12-6-4-3-5-7-12/h3-7,9-11,22-23H,8H2,1-2H |
|---|---|
| Topological Polar Surface Area | 83.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 546.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | Q72547, n.a. |
| Iupac Name | 5,7-dihydroxy-8-(3-methylbutanoyl)-4-phenylchromen-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.9 |
| Molecular Formula | C20H18O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | GKEWZBRIASMMCY-UHFFFAOYSA-N |
| Fcsp3 | 0.2 |
| Logs | -4.857 |
| Rotatable Bond Count | 4.0 |
| Logd | 3.549 |
| Compound Name | Isodispar B |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 338.115 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 338.115 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 338.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.1508258 |
| Inchi | InChI=1S/C20H18O5/c1-11(2)8-14(21)19-16(23)10-15(22)18-13(9-17(24)25-20(18)19)12-6-4-3-5-7-12/h3-7,9-11,22-23H,8H2,1-2H3 |
| Smiles | CC(C)CC(=O)C1=C(C=C(C2=C1OC(=O)C=C2C3=CC=CC=C3)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Calophyllum Apetalum (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Calophyllum Austroindicum (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Calophyllum Brasiliense (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Calophyllum Calaba (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Calophyllum Caledonicum (Plant) Rel Props:Reference: - 6. Outgoing r'ship
FOUND_INto/from Calophyllum Dispar (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Calophyllum Inophyllum (Plant) Rel Props:Reference: - 8. Outgoing r'ship
FOUND_INto/from Calophyllum Lanigerum (Plant) Rel Props:Reference: - 9. Outgoing r'ship
FOUND_INto/from Calophyllum Moonii (Plant) Rel Props:Reference: - 10. Outgoing r'ship
FOUND_INto/from Calophyllum Polyanthum (Plant) Rel Props:Reference: - 11. Outgoing r'ship
FOUND_INto/from Calophyllum Soulattri (Plant) Rel Props:Reference: - 12. Outgoing r'ship
FOUND_INto/from Calophyllum Teysmannii (Plant) Rel Props:Reference: - 13. Outgoing r'ship
FOUND_INto/from Calophyllum Thwaitesii (Plant) Rel Props:Reference: - 14. Outgoing r'ship
FOUND_INto/from Calophyllum Tomentosum (Plant) Rel Props:Reference: - 15. Outgoing r'ship
FOUND_INto/from Calophyllum Trapezifolium (Plant) Rel Props:Reference: - 16. Outgoing r'ship
FOUND_INto/from Jasminum Calophyllum (Plant) Rel Props:Reference: