3,8,9-Trihydroxy-1-methoxy-2,10-bis(3-methylbut-2-enyl)-[1]benzofuro[3,2-c]chromen-6-one
PubChem CID: 155563195
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| Compound Synonyms | CHEMBL4573797 |
|---|---|
| Topological Polar Surface Area | 109.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 33.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 784.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,8,9-trihydroxy-1-methoxy-2,10-bis(3-methylbut-2-enyl)-[1]benzofuro[3,2-c]chromen-6-one |
| Prediction Hob | 1.0 |
| Xlogp | 6.2 |
| Molecular Formula | C26H26O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | VOXMSNYAPTXKGH-UHFFFAOYSA-N |
| Fcsp3 | 0.2692307692307692 |
| Logs | -2.972 |
| Rotatable Bond Count | 5.0 |
| Logd | 3.713 |
| Compound Name | 3,8,9-Trihydroxy-1-methoxy-2,10-bis(3-methylbut-2-enyl)-[1]benzofuro[3,2-c]chromen-6-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 450.168 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 450.168 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 450.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.905231521212122 |
| Inchi | InChI=1S/C26H26O7/c1-12(2)6-8-14-17(27)11-19-21(24(14)31-5)25-20(26(30)32-19)16-10-18(28)22(29)15(23(16)33-25)9-7-13(3)4/h6-7,10-11,27-29H,8-9H2,1-5H3 |
| Smiles | CC(=CCC1=C(C2=C(C=C1O)OC(=O)C3=C2OC4=C(C(=C(C=C34)O)O)CC=C(C)C)OC)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Lespedeza Bicolor (Plant) Rel Props:Source_db:cmaup_ingredients