Lespecyrtin F1
PubChem CID: 25208435
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| Compound Synonyms | Lespecyrtin F1, 10-(3-methylbut-2-enyl)-6H-(1)benzofuro(3,2-c)chromene-3,8,9-triol, 10-(3-methylbut-2-enyl)-6H-[1]benzofuro[3,2-c]chromene-3,8,9-triol, CHEMBL551764, 1103684-13-4 |
|---|---|
| Topological Polar Surface Area | 83.1 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 516.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 10-(3-methylbut-2-enyl)-6H-[1]benzofuro[3,2-c]chromene-3,8,9-triol |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 4.4 |
| Is Pains | True |
| Molecular Formula | C20H18O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | FRLCRXOQCLBSAQ-UHFFFAOYSA-N |
| Fcsp3 | 0.2 |
| Rotatable Bond Count | 2.0 |
| Compound Name | Lespecyrtin F1 |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 338.115 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 338.115 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 338.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.0155258 |
| Inchi | InChI=1S/C20H18O5/c1-10(2)3-5-13-18(23)16(22)8-14-15-9-24-17-7-11(21)4-6-12(17)19(15)25-20(13)14/h3-4,6-8,21-23H,5,9H2,1-2H3 |
| Smiles | CC(=CCC1=C2C(=CC(=C1O)O)C3=C(O2)C4=C(C=C(C=C4)O)OC3)C |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Lespedeza Cyrtobotrya (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Teucrium Betonicum (Plant) Rel Props:Source_db:cmaup_ingredients