Lespecyrtin F2
PubChem CID: 25208758
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| Compound Synonyms | Lespecyrtin F2, 2,10-bis(3-methylbut-2-enyl)-6H-(1)benzofuro(3,2-c)chromene-3,8,9-triol, 2,10-bis(3-methylbut-2-enyl)-6H-[1]benzofuro[3,2-c]chromene-3,8,9-triol, CHEMBL551908, 1103684-14-5 |
|---|---|
| Topological Polar Surface Area | 83.1 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 30.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 664.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,10-bis(3-methylbut-2-enyl)-6H-[1]benzofuro[3,2-c]chromene-3,8,9-triol |
| Prediction Hob | 0.0 |
| Xlogp | 6.3 |
| Molecular Formula | C25H26O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | LGLLDPCJEPLYCU-UHFFFAOYSA-N |
| Fcsp3 | 0.28 |
| Logs | -3.555 |
| Rotatable Bond Count | 4.0 |
| Logd | 4.227 |
| Compound Name | Lespecyrtin F2 |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 406.178 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 406.178 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 406.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.447763600000001 |
| Inchi | InChI=1S/C25H26O5/c1-13(2)5-7-15-9-18-22(11-20(15)26)29-12-19-17-10-21(27)23(28)16(8-6-14(3)4)24(17)30-25(18)19/h5-6,9-11,26-28H,7-8,12H2,1-4H3 |
| Smiles | CC(=CCC1=CC2=C(C=C1O)OCC3=C2OC4=C(C(=C(C=C34)O)O)CC=C(C)C)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Lespedeza Cyrtobotrya (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Teucrium Betonicum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all