Puterine
PubChem CID: 191751
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| Compound Synonyms | Puterine, 65012-38-6, 5H-Benzo(g)-1,3-benzodioxolo(6,5,4-de)quinoline, 6,7,7a,8-tetrahydro-12-methoxy-, (R)-, (12R)-18-methoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14(19),15,17-hexaene, (12R)-18-methoxy-3,5-dioxa-11-azapentacyclo(10.7.1.02,6.08,20.014,19)icosa-1(20),2(6),7,14(19),15,17-hexaene, DTXSID30983559, 12-Methoxy-6,7,7a,8-tetrahydro-2H,5H-[1,3]benzodioxolo[6,5,4-de]benzo[g]quinoline |
|---|---|
| Topological Polar Surface Area | 39.7 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 431.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (12R)-18-methoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14(19),15,17-hexaene |
| Prediction Hob | 1.0 |
| Xlogp | 2.8 |
| Molecular Formula | C18H17NO3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | VEGWTRMHBZNJFY-GFCCVEGCSA-N |
| Fcsp3 | 0.3333333333333333 |
| Logs | -4.326 |
| Rotatable Bond Count | 1.0 |
| Logd | 4.519 |
| Compound Name | Puterine |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 295.121 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 295.121 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 295.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.772731963636364 |
| Inchi | InChI=1S/C18H17NO3/c1-20-13-4-2-3-10-7-12-15-11(5-6-19-12)8-14-18(22-9-21-14)17(15)16(10)13/h2-4,8,12,19H,5-7,9H2,1H3/t12-/m1/s1 |
| Smiles | COC1=CC=CC2=C1C3=C4[C@@H](C2)NCCC4=CC5=C3OCO5 |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Corydalis Sheareri (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all