Trigohowilol D
PubChem CID: 71455119
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Trigohowilol D, CHEMBL2164997 |
|---|---|
| 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 | 8-hydroxy-1-(9-hydroxy-6-methoxy-1,1,7-trimethyl-2-oxophenanthren-3-yl)-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 | XHMHATOOSRPEOR-UHFFFAOYSA-N |
| Fcsp3 | 0.2647058823529412 |
| Logs | -5.774 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.289 |
| Compound Name | Trigohowilol D |
| 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/c1-15-8-20-21(11-25(15)35)29-24(14-27(20)37)34(5,6)32(39)30(29)22-10-18-17-12-28(40-7)16(2)9-19(17)26(36)13-23(18)33(3,4)31(22)38/h8-14,35-36H,1-7H3 |
| 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)OC |
| 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