Trigohowilol F
PubChem CID: 71460598
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| Compound Synonyms | Trigohowilol F, CHEMBL2164999 |
|---|---|
| Topological Polar Surface Area | 89.9 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 41.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1270.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-(9-hydroxy-6-methoxy-1,1,7-trimethyl-2-oxophenanthren-3-yl)-8-methoxy-3,3,7-trimethylcyclopenta[a]naphthalene-2,5-dione |
| Prediction Hob | 0.0 |
| Xlogp | 6.0 |
| Molecular Formula | C35H32O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | XSOKETBFFFHUKC-UHFFFAOYSA-N |
| Fcsp3 | 0.2857142857142857 |
| Logs | -6.665 |
| Rotatable Bond Count | 3.0 |
| Logd | 3.496 |
| Compound Name | Trigohowilol F |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 548.22 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 548.22 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 548.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -7.11231748780488 |
| Inchi | InChI=1S/C35H32O6/c1-16-9-20-18(12-28(16)40-7)19-11-23(32(38)34(3,4)24(19)14-26(20)36)31-30-22-13-29(41-8)17(2)10-21(22)27(37)15-25(30)35(5,6)33(31)39/h9-15,36H,1-8H3 |
| Smiles | CC1=CC2=C(C=C1OC)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