Stenantherine
PubChem CID: 189607
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| Compound Synonyms | Stenantherine, 119089-37-1, (6ar)-1,2,3-trimethoxy-5,6,6a,7-tetrahydro-4h-dibenzo[de,g]quinolin-11-ol, 4H-Dibenzo(de,g)quinolin-11-ol, 5,6,6a,7-tetrahydro-1,2,3-trimethoxy-, (R)-, (6aR)-1,2,3-trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo(de,g)quinolin-11-ol, DTXSID70922866, 1,2,3-Trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol |
|---|---|
| Topological Polar Surface Area | 60.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 447.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (6aR)-1,2,3-trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol |
| Prediction Hob | 1.0 |
| Xlogp | 2.6 |
| Molecular Formula | C19H21NO4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | VXYDNYIPLBSIQS-GFCCVEGCSA-N |
| Fcsp3 | 0.3684210526315789 |
| Logs | -1.604 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.266 |
| Compound Name | Stenantherine |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 327.147 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 327.147 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 327.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.6671560000000007 |
| Inchi | InChI=1S/C19H21NO4/c1-22-17-11-7-8-20-12-9-10-5-4-6-13(21)14(10)16(15(11)12)18(23-2)19(17)24-3/h4-6,12,20-21H,7-9H2,1-3H3/t12-/m1/s1 |
| Smiles | COC1=C(C(=C2C3=C1CCN[C@@H]3CC4=C2C(=CC=C4)O)OC)OC |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Flemingia Macrophylla (Plant) Rel Props:Source_db:cmaup_ingredients