Trigohowilol E
PubChem CID: 71458786
Connections displayed (default: 10).
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| Compound Synonyms | Trigohowilol E, CHEMBL2164998 |
|---|---|
| Topological Polar Surface Area | 101.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 40.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1250.0 |
| 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-methoxy-3,3,7-trimethylcyclopenta[a]naphthalene-2,5-dione |
| Prediction Hob | 0.0 |
| Xlogp | 5.7 |
| Molecular Formula | C34H30O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | IQMBEHLMUVRKQC-UHFFFAOYSA-N |
| Fcsp3 | 0.2647058823529412 |
| Logs | -5.606 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.328 |
| Compound Name | Trigohowilol E |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 534.204 |
| Formal Charge | 0.0 |
| 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 | -6.8906696000000025 |
| Inchi | InChI=1S/C34H30O6/c1-15-8-19-17(11-25(15)35)18-10-22(31(38)33(3,4)23(18)13-26(19)36)30-29-21-12-28(40-7)16(2)9-20(21)27(37)14-24(29)34(5,6)32(30)39/h8-14,35-36H,1-7H3 |
| Smiles | CC1=CC2=C(C=C3C(=C2C=C1O)C=C(C(=O)C3(C)C)C4=C5C(=CC(=O)C6=C5C=C(C(=C6)C)OC)C(C4=O)(C)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