Khrinone A
PubChem CID: 44613666
Connections displayed (default: 10).
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| Compound Synonyms | khrinone A, CHEMBL1080370, 1201493-77-7, 3-(2,5-dihydroxy-4-methoxyphenyl)-7-hydroxychromen-4-one |
|---|---|
| Topological Polar Surface Area | 96.2 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 462.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-(2,5-dihydroxy-4-methoxyphenyl)-7-hydroxychromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.1 |
| Molecular Formula | C16H12O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | MPBPGCHGTKVWMR-UHFFFAOYSA-N |
| Fcsp3 | 0.0625 |
| Logs | -3.529 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.548 |
| Compound Name | Khrinone A |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 300.063 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 300.063 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 300.26 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.9268310181818182 |
| Inchi | InChI=1S/C16H12O6/c1-21-15-6-12(18)10(5-13(15)19)11-7-22-14-4-8(17)2-3-9(14)16(11)20/h2-7,17-19H,1H3 |
| Smiles | COC1=C(C=C(C(=C1)O)C2=COC3=C(C2=O)C=CC(=C3)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
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FOUND_INto/from Aniba Parviflora (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Artemisia Parviflora (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Asimina Parviflora (Plant) Rel Props:Reference: - 5. Outgoing r'ship
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FOUND_INto/from Bruguiera Parviflora (Plant) Rel Props:Reference: - 7. Outgoing r'ship
FOUND_INto/from Dalbergia Assamica (Plant) Rel Props:Reference: - 8. Outgoing r'ship
FOUND_INto/from Dalbergia Candenatensis (Plant) Rel Props:Reference: - 9. Outgoing r'ship
FOUND_INto/from Dalbergia Cearensis (Plant) Rel Props:Reference: - 10. Outgoing r'ship
FOUND_INto/from Dalbergia Cochinchinensis (Plant) Rel Props:Reference: - 11. Outgoing r'ship
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FOUND_INto/from Dalbergia Ecastaphyllum (Plant) Rel Props:Reference: - 14. Outgoing r'ship
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FOUND_INto/from Dalbergia Parviflora (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 30. Outgoing r'ship
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