Sparsiflorine
PubChem CID: 12442918
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| Compound Synonyms | Sparsiflorine, Apocrotsparine, (-)-Sparsiflorine, Sparsiflorine [MI], 53EWB5GJ52, 2128-61-2, UNII-53EWB5GJ52, 6aalpha-Noraporphine-1,10-diol, 2-methoxy-, 4H-Dibenzo(de,g)quinoline-1,10-diol, 5,6,6a,7-tetrahydro-2-methoxy-, (6aS), (6aS)-2-methoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-1,10-diol, 6A.ALPHA.-NORAPORPHINE-1,10-DIOL, 2-METHOXY-, (6aS)-2-methoxy-5,6,6a,7-tetrahydro-4H-dibenzo(de,g)quinoline-1,10-diol, Q27261105 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 61.7 |
| Hydrogen Bond Donor Count | 3.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC2C(C1)CC1CCCC3CCCC2C31 |
| Np Classifier Class | Aporphine alkaloids, Isoquinoline alkaloids |
| Deep Smiles | COcccCCN[C@@H]c6c-cccO)ccc6C%10)))))))c%10O |
| Heavy Atom Count | 21.0 |
| Classyfire Class | Aporphines |
| Scaffold Graph Node Level | C1CCC2C(C1)CC1NCCC3CCCC2C31 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 390.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (6aS)-2-methoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-1,10-diol |
| Veber Rule | True |
| Classyfire Superclass | Alkaloids and derivatives |
| Xlogp | 2.3 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C17H17NO3 |
| Scaffold Graph Node Bond Level | c1ccc2c(c1)CC1NCCc3cccc-2c31 |
| Inchi Key | LTCVKUADFIKXMF-ZDUSSCGKSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | sparsiflorine |
| Esol Class | Soluble |
| Functional Groups | CNC, cO, cOC |
| Compound Name | Sparsiflorine |
| Exact Mass | 283.121 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 283.121 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 283.32 |
| 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/C17H17NO3/c1-21-14-7-10-4-5-18-13-6-9-2-3-11(19)8-12(9)16(15(10)13)17(14)20/h2-3,7-8,13,18-20H,4-6H2,1H3/t13-/m0/s1 |
| Smiles | COC1=C(C2=C3[C@H](CC4=C2C=C(C=C4)O)NCCC3=C1)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 Croton Bonplandianus (Plant) Rel Props:Reference:ISBN:9770972795006; ISBN:9788172360481; ISBN:9788185042114