6,10,11-Trihydroxy-3,3-dimethyl-8,8-bis(3-methylbut-2-enyl)chromeno[5,6-b]chromene-7,9-dione
PubChem CID: 137265386
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| Compound Synonyms | CHEMBL3931313 |
|---|---|
| Topological Polar Surface Area | 113.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 35.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1070.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6,10,11-trihydroxy-3,3-dimethyl-8,8-bis(3-methylbut-2-enyl)chromeno[5,6-b]chromene-7,9-dione |
| Prediction Hob | 0.0 |
| Xlogp | 5.6 |
| Molecular Formula | C28H30O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | AQOOSSPVYSSBKE-UHFFFAOYSA-N |
| Fcsp3 | 0.3571428571428571 |
| Logs | -3.265 |
| Rotatable Bond Count | 4.0 |
| Logd | 3.367 |
| Compound Name | 6,10,11-Trihydroxy-3,3-dimethyl-8,8-bis(3-methylbut-2-enyl)chromeno[5,6-b]chromene-7,9-dione |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 478.199 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 478.199 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 478.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.137482771428574 |
| Inchi | InChI=1S/C28H30O7/c1-14(2)7-11-28(12-8-15(3)4)20-21(30)19-17(29)13-18-16(9-10-27(5,6)35-18)24(19)34-25(20)22(31)23(32)26(28)33/h7-10,13,29,31-32H,11-12H2,1-6H3 |
| Smiles | CC(=CCC1(C2=C(C(=C(C1=O)O)O)OC3=C(C2=O)C(=CC4=C3C=CC(O4)(C)C)O)CC=C(C)C)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Garcinia Oligantha (Plant) Rel Props:Source_db:cmaup_ingredients