Trigohowilol C
PubChem CID: 71460597
Connections displayed (default: 10).
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| Compound Synonyms | Trigohowilol C, CHEMBL2164996 |
|---|---|
| Topological Polar Surface Area | 112.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 39.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1230.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-(6,9-dihydroxy-1,1,7-trimethyl-2-oxophenanthren-3-yl)-8-hydroxy-3,3,7-trimethylcyclopenta[a]naphthalene-2,5-dione |
| Prediction Hob | 1.0 |
| Xlogp | 5.3 |
| Molecular Formula | C33H28O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DFDVUOJRRAVNNF-UHFFFAOYSA-N |
| Fcsp3 | 0.2424242424242424 |
| Logs | -5.036 |
| Rotatable Bond Count | 1.0 |
| Logd | 3.188 |
| Compound Name | Trigohowilol C |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 520.189 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 520.189 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 520.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.675691943589745 |
| Inchi | InChI=1S/C33H28O6/c1-14-7-18-16(10-24(14)34)17-9-21(30(38)32(3,4)22(17)12-26(18)36)29-28-20-11-25(35)15(2)8-19(20)27(37)13-23(28)33(5,6)31(29)39/h7-13,34-36H,1-6H3 |
| Smiles | CC1=CC2=C(C=C1O)C3=C(C(=O)C(C3=CC2=O)(C)C)C4=CC5=C6C=C(C(=CC6=C(C=C5C(C4=O)(C)C)O)C)O |
| Nring | 6.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Trigonostemon Howii (Plant) Rel Props:Source_db:cmaup_ingredients