Julandine
PubChem CID: 10407368
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| Compound Synonyms | Julandine, (9aR)-8-(3,4-dimethoxyphenyl)-7-(4-methoxyphenyl)-2,3,4,6,9,9a-hexahydro-1H-quinolizine |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 30.9 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC(C2CC3CCCCC3CC2C2CCCCC2)CC1 |
| Np Classifier Class | Indolizidine alkaloids |
| Deep Smiles | COcccccc6))C=CC[C@@H]NC6)CCCC6)))))))cccccc6)OC)))OC |
| Heavy Atom Count | 28.0 |
| Classyfire Class | Stilbenes |
| Scaffold Graph Node Level | C1CCC(C2CC3CCCCN3CC2C2CCCCC2)CC1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 540.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (9aR)-8-(3,4-dimethoxyphenyl)-7-(4-methoxyphenyl)-2,3,4,6,9,9a-hexahydro-1H-quinolizine |
| Veber Rule | True |
| Classyfire Superclass | Phenylpropanoids and polyketides |
| Xlogp | 4.1 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C24H29NO3 |
| Scaffold Graph Node Bond Level | c1ccc(C2=C(c3ccccc3)CN3CCCCC3C2)cc1 |
| Inchi Key | GZQPRQAGPHGFNW-LJQANCHMSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 5.0 |
| Synonyms | julandine |
| Esol Class | Moderately soluble |
| Functional Groups | CN(C)C, cC(C)=C(c)C, cOC |
| Compound Name | Julandine |
| Exact Mass | 379.215 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 379.215 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 379.5 |
| 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/C24H29NO3/c1-26-20-10-7-17(8-11-20)22-16-25-13-5-4-6-19(25)15-21(22)18-9-12-23(27-2)24(14-18)28-3/h7-12,14,19H,4-6,13,15-16H2,1-3H3/t19-/m1/s1 |
| Smiles | COC1=CC=C(C=C1)C2=C(C[C@H]3CCCCN3C2)C4=CC(=C(C=C4)OC)OC |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Lysine alkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Boehmeria Macrophylla (Plant) Rel Props:Reference:ISBN:9788185042084; ISBN:9788185042114 - 2. Outgoing r'ship
FOUND_INto/from Ipomoea Muricata (Plant) Rel Props:Reference:ISBN:9788185042114 - 3. Outgoing r'ship
FOUND_INto/from Ipomoea Turbinata (Plant) Rel Props:Reference:ISBN:9788185042114