LaurentixanthoneA
PubChem CID: 16081685
Connections displayed (default: 10).
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| Compound Synonyms | LaurentixanthoneA, Laurentixanthone A, CHEMBL1923853, 6-hydroxy-3,3-dimethyl-11-(3-methylbut-2-enyl)pyrano[2,3-c]xanthen-7-one |
|---|---|
| Topological Polar Surface Area | 55.8 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 27.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 645.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6-hydroxy-3,3-dimethyl-11-(3-methylbut-2-enyl)pyrano[2,3-c]xanthen-7-one |
| Prediction Hob | 1.0 |
| Xlogp | 6.0 |
| Molecular Formula | C23H22O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | BCILHNDVVWKDBW-UHFFFAOYSA-N |
| Fcsp3 | 0.2608695652173913 |
| Logs | -3.729 |
| Rotatable Bond Count | 2.0 |
| Logd | 4.37 |
| Compound Name | LaurentixanthoneA |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 362.152 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 362.152 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 362.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.4652387037037045 |
| Inchi | InChI=1S/C23H22O4/c1-13(2)8-9-14-6-5-7-16-20(25)19-17(24)12-18-15(22(19)26-21(14)16)10-11-23(3,4)27-18/h5-8,10-12,24H,9H2,1-4H3 |
| Smiles | CC(=CCC1=C2C(=CC=C1)C(=O)C3=C(O2)C4=C(C=C3O)OC(C=C4)(C)C)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Vismia Laurentii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all