Dorsmanin D
PubChem CID: 10599726
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| Compound Synonyms | Dorsmanin D, LMPK12112395, 3,5,7-trihydroxy-2-(4-hydroxy-3-methoxy-phenyl)-6,8-bis(3-methylbut-2-enyl)chromen-4-one, 3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6,8-bis(3-methylbut-2-enyl)chromen-4-one, 211255-16-2 |
|---|---|
| Topological Polar Surface Area | 116.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 33.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 805.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6,8-bis(3-methylbut-2-enyl)chromen-4-one |
| Nih Violation | False |
| Prediction Hob | 0.0 |
| Xlogp | 6.3 |
| Is Pains | False |
| Molecular Formula | C26H28O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YRKLNCSPCWVPPC-UHFFFAOYSA-N |
| Fcsp3 | 0.2692307692307692 |
| Rotatable Bond Count | 6.0 |
| Compound Name | Dorsmanin D |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 452.184 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 452.184 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 452.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.237106478787879 |
| Inchi | InChI=1S/C26H28O7/c1-13(2)6-9-16-21(28)17(10-7-14(3)4)26-20(22(16)29)23(30)24(31)25(33-26)15-8-11-18(27)19(12-15)32-5/h6-8,11-12,27-29,31H,9-10H2,1-5H3 |
| Smiles | CC(=CCC1=C(C(=C2C(=C1O)C(=O)C(=C(O2)C3=CC(=C(C=C3)O)OC)O)CC=C(C)C)O)C |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Dorstenia Mannii (Plant) Rel Props:Source_db:cmaup_ingredients