Isodalbergin
PubChem CID: 5318543
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Isodalbergin, 7-Hydroxy-6-methoxy-4-phenylcoumarin, LMPK12100007, 605-09-4 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 55.8 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CC2CCCCC2C(C2CCCCC2)C1 |
| Np Classifier Class | Neoflavonoids |
| Deep Smiles | COcccccc6O)))oc=O)cc6cccccc6 |
| Heavy Atom Count | 20.0 |
| Classyfire Class | Neoflavonoids |
| Scaffold Graph Node Level | OC1CC(C2CCCCC2)C2CCCCC2O1 |
| Classyfire Subclass | Neoflavones |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 397.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 7-hydroxy-6-methoxy-4-phenylchromen-2-one |
| Prediction Hob | 1.0 |
| Veber Rule | True |
| Classyfire Superclass | Phenylpropanoids and polyketides |
| Xlogp | 2.7 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C16H12O4 |
| Scaffold Graph Node Bond Level | O=c1cc(-c2ccccc2)c2ccccc2o1 |
| Prediction Swissadme | 0.0 |
| Inchi Key | JHRWCFFXJIFILI-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Fcsp3 | 0.0625 |
| Logs | -3.7 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.963 |
| Synonyms | isodalbergin |
| Esol Class | Soluble |
| Functional Groups | c=O, cO, cOC, coc |
| Compound Name | Isodalbergin |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 268.074 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 268.074 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 268.26 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Esol | -3.2295616 |
| Inchi | InChI=1S/C16H12O4/c1-19-15-7-12-11(10-5-3-2-4-6-10)8-16(18)20-14(12)9-13(15)17/h2-9,17H,1H3 |
| Smiles | COC1=C(C=C2C(=C1)C(=CC(=O)O2)C3=CC=CC=C3)O |
| Nring | 3.0 |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Flavonoids |
- 1. Outgoing r'ship
FOUND_INto/from Dalbergia Assamica (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Dalbergia Candenatensis (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Dalbergia Cearensis (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Dalbergia Cochinchinensis (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Dalbergia Congestiflora (Plant) Rel Props:Reference: - 6. Outgoing r'ship
FOUND_INto/from Dalbergia Cultrata (Plant) Rel Props:Reference: - 7. Outgoing r'ship
FOUND_INto/from Dalbergia Ecastaphyllum (Plant) Rel Props:Reference: - 8. Outgoing r'ship
FOUND_INto/from Dalbergia Ferruginea (Plant) Rel Props:Reference: - 9. Outgoing r'ship
FOUND_INto/from Dalbergia Frutescens (Plant) Rel Props:Reference: - 10. Outgoing r'ship
FOUND_INto/from Dalbergia Horrida (Plant) Rel Props:Reference: - 11. Outgoing r'ship
FOUND_INto/from Dalbergia Hupeana (Plant) Rel Props:Reference: - 12. Outgoing r'ship
FOUND_INto/from Dalbergia Lanceolaria (Plant) Rel Props:Reference: - 13. Outgoing r'ship
FOUND_INto/from Dalbergia Latifolia (Plant) Rel Props:Reference: - 14. Outgoing r'ship
FOUND_INto/from Dalbergia Louvelii (Plant) Rel Props:Reference: - 15. Outgoing r'ship
FOUND_INto/from Dalbergia Melanoxylon (Plant) Rel Props:Reference: - 16. Outgoing r'ship
FOUND_INto/from Dalbergia Miscolobium (Plant) Rel Props:Reference: - 17. Outgoing r'ship
FOUND_INto/from Dalbergia Monetaria (Plant) Rel Props:Reference: - 18. Outgoing r'ship
FOUND_INto/from Dalbergia Nigra (Plant) Rel Props:Reference: - 19. Outgoing r'ship
FOUND_INto/from Dalbergia Nitidula (Plant) Rel Props:Reference: - 20. Outgoing r'ship
FOUND_INto/from Dalbergia Odorifera (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 21. Outgoing r'ship
FOUND_INto/from Dalbergia Oliveri (Plant) Rel Props:Reference: - 22. Outgoing r'ship
FOUND_INto/from Dalbergia Oogeinensis (Plant) Rel Props:Reference: - 23. Outgoing r'ship
FOUND_INto/from Dalbergia Parviflora (Plant) Rel Props:Reference: - 24. Outgoing r'ship
FOUND_INto/from Dalbergia Pervillei (Plant) Rel Props:Reference: - 25. Outgoing r'ship
FOUND_INto/from Dalbergia Riparia (Plant) Rel Props:Reference: - 26. Outgoing r'ship
FOUND_INto/from Dalbergia Rubiginosa (Plant) Rel Props:Reference: - 27. Outgoing r'ship
FOUND_INto/from Dalbergia Sericea (Plant) Rel Props:Reference: - 28. Outgoing r'ship
FOUND_INto/from Dalbergia Sisso (Plant) Rel Props:Reference: - 29. Outgoing r'ship
FOUND_INto/from Dalbergia Sissoides (Plant) Rel Props:Reference: - 30. Outgoing r'ship
FOUND_INto/from Dalbergia Sissoo (Plant) Rel Props:Reference:ISBN:9788172363178 - 31. Outgoing r'ship
FOUND_INto/from Dalbergia Spinosa (Plant) Rel Props:Reference: - 32. Outgoing r'ship
FOUND_INto/from Dalbergia Spruceana (Plant) Rel Props:Reference: - 33. Outgoing r'ship
FOUND_INto/from Dalbergia Stevensonii (Plant) Rel Props:Reference: - 34. Outgoing r'ship
FOUND_INto/from Dalbergia Stipulacea (Plant) Rel Props:Reference: - 35. Outgoing r'ship
FOUND_INto/from Dalbergia Variabilis (Plant) Rel Props:Reference: - 36. Outgoing r'ship
FOUND_INto/from Dalbergia Volubilis (Plant) Rel Props:Reference: - 37. Outgoing r'ship
FOUND_INto/from Sicana Odorifera (Plant) Rel Props:Reference: