SchisantherinS
PubChem CID: 14827753
Connections displayed (default: 10).
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| Compound Synonyms | 2230512-49-7, SchisantherinS, G89079 |
|---|---|
| Topological Polar Surface Area | 72.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 31.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 598.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,4,5,14,15,16-hexamethoxy-9,10-dimethyltricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaen-8-one |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 4.5 |
| Is Pains | False |
| Molecular Formula | C24H30O7 |
| Prediction Swissadme | 1.0 |
| Inchi Key | MXMZPEXVCSNTFK-UHFFFAOYSA-N |
| Fcsp3 | 0.4583333333333333 |
| Rotatable Bond Count | 6.0 |
| Compound Name | SchisantherinS |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 430.199 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 430.199 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 430.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.221933012903227 |
| Inchi | InChI=1S/C24H30O7/c1-12-9-14-10-16(26-3)21(28-5)23(30-7)18(14)19-15(20(25)13(12)2)11-17(27-4)22(29-6)24(19)31-8/h10-13H,9H2,1-8H3 |
| Smiles | CC1CC2=CC(=C(C(=C2C3=C(C(=C(C=C3C(=O)C1C)OC)OC)OC)OC)OC)OC |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Kadsura Peltigera (Plant) Rel Props:Source_db:cmaup_ingredients