(2S)-4,8-dihydroxy-7-methoxy-6-(3-methylbut-2-enyl)-2-prop-1-en-2-yl-2,3-dihydrofuro[3,2-b]xanthen-5-one
PubChem CID: 163087336
Connections displayed (default: 10).
Loading graph...
| Topological Polar Surface Area | 85.2 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 30.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 712.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2S)-4,8-dihydroxy-7-methoxy-6-(3-methylbut-2-enyl)-2-prop-1-en-2-yl-2,3-dihydrofuro[3,2-b]xanthen-5-one |
| Prediction Hob | 1.0 |
| Xlogp | 6.0 |
| Molecular Formula | C24H24O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | AWFULCQUYOKYCM-INIZCTEOSA-N |
| Fcsp3 | 0.2916666666666667 |
| Logs | -3.851 |
| Rotatable Bond Count | 4.0 |
| Logd | 3.529 |
| Compound Name | (2S)-4,8-dihydroxy-7-methoxy-6-(3-methylbut-2-enyl)-2-prop-1-en-2-yl-2,3-dihydrofuro[3,2-b]xanthen-5-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 408.157 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 408.157 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 408.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.580223333333334 |
| Inchi | InChI=1S/C24H24O6/c1-11(2)6-7-13-20-18(9-15(25)24(13)28-5)30-19-10-17-14(8-16(29-17)12(3)4)22(26)21(19)23(20)27/h6,9-10,16,25-26H,3,7-8H2,1-2,4-5H3/t16-/m0/s1 |
| Smiles | CC(=CCC1=C(C(=CC2=C1C(=O)C3=C(C4=C(C=C3O2)O[C@@H](C4)C(=C)C)O)O)OC)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aster Bellidiastrum (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Dolomiaea Souliei (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Garcinia Mangostana (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Halimodendron Halodendron (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Lonicera Hypoleuca (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Nicotiana Sylvestris (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Senecio Vellereus (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Serpocaulon Triseriale (Plant) Rel Props:Source_db:cmaup_ingredients - 9. Outgoing r'ship
FOUND_INto/from Wibelia Divaricata (Plant) Rel Props:Source_db:cmaup_ingredients