Dihydropalmatine
PubChem CID: 1023495
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| Compound Synonyms | Dihydropalmatine, 26067-60-7, 2,3,9,10-tetramethoxy-6,8-dihydro-5H-isoquinolino[2,1-b]isoquinoline, 2,3,9,10-tetramethoxy-6,8-dihydro-5H-isoquinolino(2,1-b)isoquinoline, Palmatine dihydroanhydro, SCHEMBL12329651, BBA06760, HY-N4240, AKOS037515270, DA-62886, MS-25491, CS-0032498, E87112, AA-504/21027015, 3,4,10,11-tetramethoxy-7,8-dihydro-5H-6-azatetraphene |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 40.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC2CC3C(CCC4CCCCC43)CC2C1 |
| Np Classifier Class | Isoquinoline alkaloids, Protoberberine alkaloids |
| Deep Smiles | COcccCCNC=CccC6)cOC))ccc6))OC)))))))c6cc%10OC |
| Heavy Atom Count | 26.0 |
| Classyfire Class | Protoberberine alkaloids and derivatives |
| Scaffold Graph Node Level | C1CCC2CN3CCC4CCCCC4C3CC2C1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 524.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,3,9,10-tetramethoxy-6,8-dihydro-5H-isoquinolino[2,1-b]isoquinoline |
| Veber Rule | True |
| Classyfire Superclass | Alkaloids and derivatives |
| Xlogp | 3.7 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C21H23NO4 |
| Scaffold Graph Node Bond Level | C1=C2c3ccccc3CCN2Cc2ccccc21 |
| Inchi Key | PTPHDVKWAYIFRX-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 4.0 |
| Synonyms | dihydropalmatine |
| Esol Class | Moderately soluble |
| Functional Groups | cC=C(c)N(C)C, cOC |
| Compound Name | Dihydropalmatine |
| Exact Mass | 353.163 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 353.163 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 353.4 |
| 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/C21H23NO4/c1-23-18-6-5-13-9-17-15-11-20(25-3)19(24-2)10-14(15)7-8-22(17)12-16(13)21(18)26-4/h5-6,9-11H,7-8,12H2,1-4H3 |
| Smiles | COC1=C(C2=C(C=C1)C=C3C4=CC(=C(C=C4CCN3C2)OC)OC)OC |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Tyrosine alkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Berberis Chitria (Plant) Rel Props:Reference:ISBN:9770972795006