Lakshminine
PubChem CID: 11097799
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| Compound Synonyms | Lakshminine, 10-amino-11-methoxy-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one, 10-amino-11-methoxy-16-azatetracyclo(7.7.1.02,7.013,17)heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one, CHEMBL1651052, 479669-27-7 |
|---|---|
| Topological Polar Surface Area | 65.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 427.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 10-amino-11-methoxy-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.1 |
| Molecular Formula | C17H12N2O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | IHHZBGNIAYEFQG-UHFFFAOYSA-N |
| Fcsp3 | 0.0588235294117647 |
| Logs | -6.411 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.837 |
| Compound Name | Lakshminine |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 276.09 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 276.09 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 276.29 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.016438523809524 |
| Inchi | InChI=1S/C17H12N2O2/c1-21-12-8-9-6-7-19-16-10-4-2-3-5-11(10)17(20)14(13(9)16)15(12)18/h2-8H,18H2,1H3 |
| Smiles | COC1=C(C2=C3C(=C1)C=CN=C3C4=CC=CC=C4C2=O)N |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Sciadotenia Toxifera (Plant) Rel Props:Source_db:cmaup_ingredients