Dehydrostephalagine
PubChem CID: 183900
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| Compound Synonyms | Dehydrostephalagine, 107882-28-0, 5H-Benzo(g)-1,3-benzodioxolo(6,5,4-de)quinoline, 6,7-dihydro-4-methoxy-7-methyl-, 7-methoxy-11-methyl-3,5-dioxa-11-azapentacyclo(10.7.1.02,6.08,20.014,19)icosa-1,6,8(20),12,14,16,18-heptaene, 7-methoxy-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1,6,8(20),12,14,16,18-heptaene, DTXSID90910568, 4-Methoxy-7-methyl-6,7-dihydro-2H,5H-[1,3]benzodioxolo[6,5,4-de]benzo[g]quinoline |
|---|---|
| Topological Polar Surface Area | 30.9 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 458.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 7-methoxy-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1,6,8(20),12,14,16,18-heptaene |
| Prediction Hob | 1.0 |
| Xlogp | 4.4 |
| Molecular Formula | C19H17NO3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | VQOWFNUMBHRHJU-UHFFFAOYSA-N |
| Fcsp3 | 0.2631578947368421 |
| Logs | -6.615 |
| Rotatable Bond Count | 1.0 |
| Logd | 3.659 |
| Compound Name | Dehydrostephalagine |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 307.121 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 307.121 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 307.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.876798582608696 |
| Inchi | InChI=1S/C19H17NO3/c1-20-8-7-13-15-14(20)9-11-5-3-4-6-12(11)16(15)18-19(17(13)21-2)23-10-22-18/h3-6,9H,7-8,10H2,1-2H3 |
| Smiles | CN1CCC2=C3C1=CC4=CC=CC=C4C3=C5C(=C2OC)OCO5 |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Stephania Dinklagei (Plant) Rel Props:Source_db:cmaup_ingredients