Densiflorine
PubChem CID: 343060
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| Compound Synonyms | Densiflorine, NSC381835, NSC-381835 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 74.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1C2CCC3CCCC3C2C(C)C1C1CCCCC1 |
| Deep Smiles | COcccccc6OC))))CCNC)C)))))CC=O)ccC5=O))cccc6OCO5 |
| Heavy Atom Count | 29.0 |
| Classyfire Class | Indanes |
| Scaffold Graph Node Level | OC1C2CCC3OCOC3C2C(O)C1C1CCCCC1 |
| Classyfire Subclass | Indanones |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 624.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 7-[2-[2-(dimethylamino)ethyl]-4,5-dimethoxyphenyl]cyclopenta[g][1,3]benzodioxole-6,8-dione |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 3.1 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C22H23NO6 |
| Scaffold Graph Node Bond Level | O=C1c2ccc3c(c2C(=O)C1c1ccccc1)OCO3 |
| Inchi Key | OALWQTMURSABLQ-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 6.0 |
| Synonyms | densiflorine |
| Esol Class | Moderately soluble |
| Functional Groups | CN(C)C, c1cOCO1, cC(C)=O, cOC |
| Compound Name | Densiflorine |
| Exact Mass | 397.153 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 397.153 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 397.4 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C22H23NO6/c1-23(2)8-7-12-9-16(26-3)17(27-4)10-14(12)18-20(24)13-5-6-15-22(29-11-28-15)19(13)21(18)25/h5-6,9-10,18H,7-8,11H2,1-4H3 |
| Smiles | CN(C)CCC1=CC(=C(C=C1C2C(=O)C3=C(C2=O)C4=C(C=C3)OCO4)OC)OC |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Rauvolfia Verticillata (Plant) Rel Props:Reference:ISBN:9788185042053