Flavidinin
PubChem CID: 86025299
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Flavidinin, 83925-00-2, 9,10-Dihydro-7-methoxy-5H-phenanthro[4,5-bcd]pyran-2-ol, 7-Methoxy-9,10-dihydro-5H-naphtho[8,1,2-cde]chromen-2-ol, 6-methoxy-2-oxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4,6,8(16),11(15),12-hexaen-13-ol, 6-methoxy-2-oxatetracyclo(6.6.2.04,16.011,15)hexadeca-1(14),4,6,8(16),11(15),12-hexaen-13-ol, starbld0003045, AKOS040761738, FS-7907, CS-0149550, 6-methoxy-2-oxatetracyclo[6.6.2.0?,(1)?.0(1)(1),(1)?]hexadeca-1(14),4,6,8(16),11(15),12-hexaen-13-ol |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 38.7 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CC2CCC3CCCC4CCC(C1)C2C34 |
| Np Classifier Class | Phenanthrenes |
| Deep Smiles | COcccCCcc-c6cc%10)COc6ccc%10)O |
| Heavy Atom Count | 19.0 |
| Classyfire Class | Phenanthrenes and derivatives |
| Scaffold Graph Node Level | C1CC2CCC3CCCC4OCC(C1)C2C34 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 345.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6-methoxy-2-oxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4,6,8(16),11(15),12-hexaen-13-ol |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 3.0 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C16H14O3 |
| Scaffold Graph Node Bond Level | c1cc2c3c(c1)COc1cccc(c1-3)CC2 |
| Inchi Key | AWAUZUFYBCBHAO-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | flavidinin |
| Esol Class | Soluble |
| Functional Groups | cO, cOC |
| Compound Name | Flavidinin |
| Exact Mass | 254.094 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 254.094 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 254.28 |
| 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 |
| Inchi | InChI=1S/C16H14O3/c1-18-13-5-10-3-2-9-4-12(17)7-14-16(9)15(10)11(6-13)8-19-14/h4-7,17H,2-3,8H2,1H3 |
| Smiles | COC1=CC2=C3C(=C1)COC4=CC(=CC(=C43)CC2)O |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Phenanthrenoids |
- 1. Outgoing r'ship
FOUND_INto/from Acampe Praemorsa (Plant) Rel Props:Reference:ISBN:9770972795006; ISBN:9788172362089 - 2. Outgoing r'ship
FOUND_INto/from Coelogyne Ovalis (Plant) Rel Props:Reference:ISBN:9770972795006; ISBN:9788185042145