CID 442136
PubChem CID: 442136
Connections displayed (default: 10).
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| Compound Synonyms | Tabernanthine, (1R,15S,17S,18S)-17-ethyl-6-methoxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene, AC1L9CB5, C09274, CHEBI:9386, Q7673043 |
|---|---|
| Topological Polar Surface Area | 28.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Inchi Key | UCIDWKVIQZIKEK-NXWOVTFFSA-N |
| Rotatable Bond Count | 2.0 |
| Heavy Atom Count | 23.0 |
| Compound Name | CID 442136 |
| Exact Mass | 310.205 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 310.205 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 455.0 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 310.4 |
| Database Name | npass_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (1R,15S,17S,18S)-17-ethyl-6-methoxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C20H26N2O/c1-3-13-8-12-9-17-19-16(6-7-22(11-12)20(13)17)15-5-4-14(23-2)10-18(15)21-19/h4-5,10,12-13,17,20-21H,3,6-9,11H2,1-2H3/t12-,13-,17-,20-/m0/s1 |
| Smiles | CC[C@H]1C[C@H]2C[C@@H]3[C@H]1N(C2)CCC4=C3NC5=C4C=CC(=C5)OC |
| Xlogp | 3.9 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C20H26N2O |
- 1. Outgoing r'ship
FOUND_INto/from Boswellia Spp (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Chlorophytum Spp (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Mussanda Spp (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Piper Spp (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Salvia Spp (Plant) Rel Props:Reference: