1,5,8-Trihydroxy-3-methyl-2,4-bis(3-methylbut-2-enyl)xanthen-9-one
PubChem CID: 162980068
Connections displayed (default: 10).
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| Prediction Swissadme | 0.0 |
|---|---|
| Topological Polar Surface Area | 87.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Inchi Key | PMWJAQJSCCRVAO-UHFFFAOYSA-N |
| Fcsp3 | 0.2916666666666667 |
| Rotatable Bond Count | 4.0 |
| Heavy Atom Count | 29.0 |
| Compound Name | 1,5,8-Trihydroxy-3-methyl-2,4-bis(3-methylbut-2-enyl)xanthen-9-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 394.178 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 394.178 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 660.0 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 394.5 |
| Database Name | cmaup_ingredients;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,5,8-trihydroxy-3-methyl-2,4-bis(3-methylbut-2-enyl)xanthen-9-one |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Prediction Hob | 1.0 |
| Esol | -6.9212367793103455 |
| Inchi | InChI=1S/C24H26O5/c1-12(2)6-8-15-14(5)16(9-7-13(3)4)23-20(21(15)27)22(28)19-17(25)10-11-18(26)24(19)29-23/h6-7,10-11,25-27H,8-9H2,1-5H3 |
| Smiles | CC1=C(C(=C2C(=C1CC=C(C)C)OC3=C(C=CC(=C3C2=O)O)O)O)CC=C(C)C |
| Xlogp | 6.7 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C24H26O5 |
- 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