(1R,15R)-15-methoxy-4-oxa-9-azatetracyclo[7.7.0.01,12.02,6]hexadeca-2(6),12-dien-3-one
PubChem CID: 102018071
Connections displayed (default: 10).
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| Topological Polar Surface Area | 38.8 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 508.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (1R,15R)-15-methoxy-4-oxa-9-azatetracyclo[7.7.0.01,12.02,6]hexadeca-2(6),12-dien-3-one |
| Prediction Hob | 1.0 |
| Xlogp | 0.2 |
| Molecular Formula | C15H19NO3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | QVOZBDJFWDSZQW-IUODEOHRSA-N |
| Fcsp3 | 0.6666666666666666 |
| Logs | -2.469 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.355 |
| Compound Name | (1R,15R)-15-methoxy-4-oxa-9-azatetracyclo[7.7.0.01,12.02,6]hexadeca-2(6),12-dien-3-one |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 261.136 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 261.136 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 261.32 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.5390901999999997 |
| Inchi | InChI=1S/C15H19NO3/c1-18-12-3-2-11-5-7-16-6-4-10-9-19-14(17)13(10)15(11,16)8-12/h2,12H,3-9H2,1H3/t12-,15-/m1/s1 |
| Smiles | CO[C@@H]1CC=C2CCN3[C@@]2(C1)C4=C(CC3)COC4=O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Chionographis Japonica (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Hypoestes Rosea (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Rhodiola Atuntsuensis (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Rhododendron Capitatum (Plant) Rel Props:Source_db:cmaup_ingredients