Erybidine
PubChem CID: 169567
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Erybidine, 34083-19-7, 5H-Dibenz(d,f)azonin-3-ol, 6,7,8,9-tetrahydro-2,11,12-trimethoxy-7-methyl-, DTXSID80187681, 4,15,16-trimethoxy-10-methyl-10-azatricyclo[11.4.0.02,7]heptadeca-1(17),2,4,6,13,15-hexaen-5-ol, 4,15,16-trimethoxy-10-methyl-10-azatricyclo(11.4.0.02,7)heptadeca-1(17),2,4,6,13,15-hexaen-5-ol, DTXCID40110172 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 51.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC2CCCCC2C2CCCCC2CC1 |
| Np Classifier Class | Aporphine alkaloids, Isoquinoline alkaloids |
| Deep Smiles | COccc-cccOC))ccc6CCNCCc%13cc%17OC)))))))C))))))O |
| Heavy Atom Count | 25.0 |
| Classyfire Class | Phenol ethers |
| Scaffold Graph Node Level | C1CCC2C(C1)CCNCCC1CCCCC12 |
| Classyfire Subclass | Anisoles |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 421.0 |
| Database Name | imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4,15,16-trimethoxy-10-methyl-10-azatricyclo[11.4.0.02,7]heptadeca-1(17),2,4,6,13,15-hexaen-5-ol |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 2.4 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C20H25NO4 |
| Scaffold Graph Node Bond Level | c1ccc2c(c1)CCNCCc1ccccc1-2 |
| Inchi Key | LWHZICJJSLUOJI-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 3.0 |
| Synonyms | erybidine |
| Esol Class | Moderately soluble |
| Functional Groups | CN(C)C, cO, cOC |
| Compound Name | Erybidine |
| Exact Mass | 343.178 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 343.178 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 343.4 |
| 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/C20H25NO4/c1-21-7-5-13-9-17(22)18(23-2)11-15(13)16-12-20(25-4)19(24-3)10-14(16)6-8-21/h9-12,22H,5-8H2,1-4H3 |
| Smiles | CN1CCC2=CC(=C(C=C2C3=CC(=C(C=C3CC1)OC)OC)OC)O |
| 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 Erythrina Arborescens (Plant) Rel Props:Reference:ISBN:9788185042084 - 2. Outgoing r'ship
FOUND_INto/from Erythrina Variegata (Plant) Rel Props:Source_db:npass_chem_all