Flavidin
PubChem CID: 158594
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| Compound Synonyms | Flavidin, 83924-98-5, 2-oxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4,6,8(16),11(15),12-hexaene-6,13-diol, 5H-Phenanthro(4,5-bcd)pyran-2,7-diol, 9,10-dihydro-, C10258, 9,10-Dihydro-5H-phenanthro[4,5-bcd]pyran-2,7-diol, AC1L4K89, SureCN12073006, 2,7-dihydroxy-9,10-dihydro-phenanthro-4,5-bcd-pyran, CHEBI:5072, CHEMBL5283019, SCHEMBL12073006, DTXSID70232811, HY-N8274, IDA92498, AKOS040761737, CS-0142188, Q27106644, 9,10-Dihydro-5H-naphtho[8,1,2-cde]chromene-2,7-diol |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 49.7 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CC2CCC3CCCC4CCC(C1)C2C34 |
| Np Classifier Class | Phenanthrenes |
| Deep Smiles | OcccCCcc-c6cc%10)OCc6ccc%10)O |
| Heavy Atom Count | 18.0 |
| Classyfire Class | Phenanthrenes and derivatives |
| Scaffold Graph Node Level | C1CC2CCC3CCCC4OCC(C1)C2C34 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 332.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-oxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4,6,8(16),11(15),12-hexaene-6,13-diol |
| Prediction Hob | 1.0 |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 2.7 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C15H12O3 |
| Scaffold Graph Node Bond Level | c1cc2c3c(c1)COc1cccc(c1-3)CC2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | QMOLHJKSZMURCV-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Fcsp3 | 0.2 |
| Logs | -4.08 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.038 |
| Synonyms | flavidin |
| Esol Class | Soluble |
| Functional Groups | cO, cOC |
| Compound Name | Flavidin |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 240.079 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 240.079 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 240.25 |
| 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 | -3.511332933333333 |
| Inchi | InChI=1S/C15H12O3/c16-11-3-8-1-2-9-4-12(17)6-13-15(9)14(8)10(5-11)7-18-13/h3-6,16-17H,1-2,7H2 |
| Smiles | C1CC2=C3C(=CC(=C2)O)OCC4=CC(=CC1=C43)O |
| Nring | 4.0 |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Phenanthrenoids |
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FOUND_INto/from Coelogyne Ovalis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
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FOUND_INto/from Otochilus Porrectus (Plant) Rel Props:Reference:ISBN:9770972795006 - 8. Outgoing r'ship
FOUND_INto/from Pholidota Articulata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 9. Outgoing r'ship
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