Trigohowilol G
PubChem CID: 71458787
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Trigohowilol G, CHEMBL2165000 |
|---|---|
| Topological Polar Surface Area | 86.7 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 40.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1260.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 8-methoxy-1-(8-methoxy-3,3,7-trimethyl-2,5-dioxocyclopenta[a]naphthalen-1-yl)-3,3,7-trimethylcyclopenta[a]naphthalene-2,5-dione |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 4.2 |
| Is Pains | False |
| Molecular Formula | C34H30O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DTTMBNWKVJATKZ-UHFFFAOYSA-N |
| Fcsp3 | 0.2941176470588235 |
| Rotatable Bond Count | 3.0 |
| Compound Name | Trigohowilol G |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 534.204 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 534.204 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 534.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.837169600000002 |
| Inchi | InChI=1S/C34H30O6/c1-15-9-17-19(11-25(15)39-7)27-21(13-23(17)35)33(3,4)31(37)29(27)30-28-20-12-26(40-8)16(2)10-18(20)24(36)14-22(28)34(5,6)32(30)38/h9-14H,1-8H3 |
| Smiles | CC1=CC2=C(C=C1OC)C3=C(C(=O)C(C3=CC2=O)(C)C)C4=C5C(=CC(=O)C6=C5C=C(C(=C6)C)OC)C(C4=O)(C)C |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Trigonostemon Howii (Plant) Rel Props:Source_db:cmaup_ingredients