16-Hydroxy-15-methoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaene-10-carbaldehyde
PubChem CID: 52937893
Connections displayed (default: 10).
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| Topological Polar Surface Area | 49.8 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 429.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 16-hydroxy-15-methoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaene-10-carbaldehyde |
| Prediction Hob | 1.0 |
| Xlogp | 2.5 |
| Molecular Formula | C18H15NO3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CBULCCZPHJKXAA-UHFFFAOYSA-N |
| Fcsp3 | 0.1666666666666666 |
| Logs | -5.471 |
| Rotatable Bond Count | 1.0 |
| Logd | 3.04 |
| Compound Name | 16-Hydroxy-15-methoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaene-10-carbaldehyde |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 293.105 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 293.105 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 293.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.171005490909091 |
| Inchi | InChI=1S/C18H15NO3/c1-22-15-9-12-6-7-19(10-20)14-8-11-4-2-3-5-13(11)17(16(12)14)18(15)21/h2-5,8-10,21H,6-7H2,1H3 |
| Smiles | COC1=C(C2=C3C(=C1)CCN(C3=CC4=CC=CC=C42)C=O)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Avena Fatua (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Helichrysum Fulvum (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Piper Sylvaticum (Plant) Rel Props:Source_db:cmaup_ingredients