Artocommunol CD
PubChem CID: 10983804
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| Compound Synonyms | Artocommunol CD, 2-(2,4-dihydroxyphenyl)-3-((2E)-3,7-dimethylocta-2,6-dienyl)-5,7-dihydroxy-8-(3-methylbut-2-enyl)chromen-4-one, 2-(2,4-dihydroxyphenyl)-3-[(2E)-3,7-dimethylocta-2,6-dienyl]-5,7-dihydroxy-8-(3-methylbut-2-enyl)chromen-4-one, CHEMBL3924574, LMPK12110903, 502627-56-7 |
|---|---|
| Topological Polar Surface Area | 107.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 36.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 904.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(2,4-dihydroxyphenyl)-3-[(2E)-3,7-dimethylocta-2,6-dienyl]-5,7-dihydroxy-8-(3-methylbut-2-enyl)chromen-4-one |
| Prediction Hob | 0.0 |
| Xlogp | 8.0 |
| Molecular Formula | C30H34O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | JIYLDFRPPGXCML-VXLYETTFSA-N |
| Fcsp3 | 0.3 |
| Logs | -1.88 |
| Rotatable Bond Count | 8.0 |
| Logd | 4.396 |
| Compound Name | Artocommunol CD |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 490.236 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 490.236 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 490.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -7.58398408888889 |
| Inchi | InChI=1S/C30H34O6/c1-17(2)7-6-8-19(5)10-13-23-28(35)27-26(34)16-25(33)22(12-9-18(3)4)30(27)36-29(23)21-14-11-20(31)15-24(21)32/h7,9-11,14-16,31-34H,6,8,12-13H2,1-5H3/b19-10+ |
| Smiles | CC(=CCC/C(=C/CC1=C(OC2=C(C(=CC(=C2C1=O)O)O)CC=C(C)C)C3=C(C=C(C=C3)O)O)/C)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Artocarpus Incisa (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Morus Australis (Plant) Rel Props:Source_db:cmaup_ingredients