Artocarpetin A
PubChem CID: 390520
Connections displayed (default: 10).
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| Compound Synonyms | Artocarpetin A, Artocarpetin A?, NSC687961, 2-(2,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-8-(3-methylbut-2-enyl)chromen-4-one, CHEMBL463111, CHEBI:175718, DTXSID201121207, NSC-687961, 167319-12-2, NCI60_031745, 2',4',5-Trihydroxy-7-methoxy-8-prenylflavone, 8-(gamma,gamma-dimethylallyl)-5,2',4'-trihydroxy-7-methoxyflavone, 2-(2,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-8-(3-methylbut-2-en-1-yl)-4H-chromen-4-one, 2-(2,4-Dihydroxyphenyl)-5-hydroxy-7-methoxy-8-(3-methyl-2-buten-1-yl)-4H-1-benzopyran-4-one |
|---|---|
| Topological Polar Surface Area | 96.2 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 27.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 608.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a. |
| Iupac Name | 2-(2,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-8-(3-methylbut-2-enyl)chromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 4.6 |
| Molecular Formula | C21H20O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | RZVNDYZVNDJBPR-UHFFFAOYSA-N |
| Fcsp3 | 0.1904761904761904 |
| Logs | -3.402 |
| Rotatable Bond Count | 4.0 |
| Logd | 3.245 |
| Compound Name | Artocarpetin A |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 368.126 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 368.126 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 368.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.673605518518518 |
| Inchi | InChI=1S/C21H20O6/c1-11(2)4-6-14-18(26-3)9-16(24)20-17(25)10-19(27-21(14)20)13-7-5-12(22)8-15(13)23/h4-5,7-10,22-24H,6H2,1-3H3 |
| Smiles | CC(=CCC1=C(C=C(C2=C1OC(=CC2=O)C3=C(C=C(C=C3)O)O)O)OC)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Artocarpus Altilis (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Artocarpus Chama (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Artocarpus Champeden (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Artocarpus Communis (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Artocarpus Dadah (Plant) Rel Props:Reference: - 6. Outgoing r'ship
FOUND_INto/from Artocarpus Gomezianus (Plant) Rel Props:Reference: - 7. Outgoing r'ship
FOUND_INto/from Artocarpus Heterophyllus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Artocarpus Hirsutus (Plant) Rel Props:Reference: - 9. Outgoing r'ship
FOUND_INto/from Artocarpus Incisa (Plant) Rel Props:Reference: - 10. Outgoing r'ship
FOUND_INto/from Artocarpus Integer (Plant) Rel Props:Reference: - 11. Outgoing r'ship
FOUND_INto/from Artocarpus Integra (Plant) Rel Props:Reference: - 12. Outgoing r'ship
FOUND_INto/from Artocarpus Integrifolia (Plant) Rel Props:Reference: - 13. Outgoing r'ship
FOUND_INto/from Artocarpus Lacucha (Plant) Rel Props:Reference: - 14. Outgoing r'ship
FOUND_INto/from Artocarpus Lakoocha (Plant) Rel Props:Reference: - 15. Outgoing r'ship
FOUND_INto/from Artocarpus Nobilis (Plant) Rel Props:Reference: - 16. Outgoing r'ship
FOUND_INto/from Artocarpus Rigidus (Plant) Rel Props:Reference: - 17. Outgoing r'ship
FOUND_INto/from Artocarpus Styracifolius (Plant) Rel Props:Reference: - 18. Outgoing r'ship
FOUND_INto/from Betula Papyrifera (Plant) Rel Props:Reference: - 19. Outgoing r'ship
FOUND_INto/from Boswellia Papyrifera (Plant) Rel Props:Reference: - 20. Outgoing r'ship
FOUND_INto/from Broussonetia Kazinoki (Plant) Rel Props:Reference: - 21. Outgoing r'ship
FOUND_INto/from Broussonetia Papyrifera (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 22. Outgoing r'ship
FOUND_INto/from Osmanthus Heterophyllus (Plant) Rel Props:Reference: