Sigmoidin K
PubChem CID: 5492092
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| Compound Synonyms | Sigmoidin K, 158020-56-5, 3,9-dihydroxy-2,10-bis(3-methylbut-2-enyl)-[1]benzofuro[3,2-c]chromen-6-one, DTXSID80166350, 6H-Benzofuro(3,2-c)(1)benzopyran-6-one, 3,9-dihydroxy-2,10-bis(3-methyl-2-butenyl)-, 3,9-dihydroxy-2,10-bis(3-methylbut-2-enyl)-(1)benzofuro(3,2-c)chromen-6-one, CHEMBL1095262, DTXCID9088841, 6H-Benzofuro03,2-c)01)benzopyran-6-one, 3,9-dihydroxy-2,10-bis(3-methyl-2-butenyl)- |
|---|---|
| Topological Polar Surface Area | 79.9 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 30.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 704.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,9-dihydroxy-2,10-bis(3-methylbut-2-enyl)-[1]benzofuro[3,2-c]chromen-6-one |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 6.6 |
| Is Pains | False |
| Molecular Formula | C25H24O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | VKQDWKDFIFTOSW-UHFFFAOYSA-N |
| Fcsp3 | 0.24 |
| Rotatable Bond Count | 4.0 |
| Compound Name | Sigmoidin K |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 404.162 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 404.162 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 404.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.9696977333333345 |
| Inchi | InChI=1S/C25H24O5/c1-13(2)5-7-15-11-18-21(12-20(15)27)29-25(28)22-17-9-10-19(26)16(8-6-14(3)4)23(17)30-24(18)22/h5-6,9-12,26-27H,7-8H2,1-4H3 |
| Smiles | CC(=CCC1=CC2=C(C=C1O)OC(=O)C3=C2OC4=C3C=CC(=C4CC=C(C)C)O)C |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Erythrina Abyssinica (Plant) Rel Props:Source_db:cmaup_ingredients