Eurycomalin A
PubChem CID: 102004690
Connections displayed (default: 10).
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| Compound Synonyms | Eurycomalin A, 790234-20-7, (2S)-7-[(2S)-5-carboxy-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-7-yl]-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-5-carboxylic acid, AKOS040734348, FS-7956, (2S,2'S)-2,2'-Di(prop-1-en-2-yl)-2,2',3,3'-tetrahydro-[7,7'-bibenzofuran]-5,5'-dicarboxylic acid |
|---|---|
| Topological Polar Surface Area | 93.1 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 30.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 682.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (2S)-7-[(2S)-5-carboxy-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-7-yl]-2-prop-1-en-2-yl-2,3-dihydro-1-benzofuran-5-carboxylic acid |
| Prediction Hob | 1.0 |
| Xlogp | 5.2 |
| Molecular Formula | C24H22O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | XEDPIBGELAXEOZ-PMACEKPBSA-N |
| Fcsp3 | 0.25 |
| Logs | -2.958 |
| Rotatable Bond Count | 5.0 |
| Logd | 2.199 |
| Compound Name | Eurycomalin A |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 406.142 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 406.142 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 406.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.962791600000001 |
| Inchi | InChI=1S/C24H22O6/c1-11(2)19-9-13-5-15(23(25)26)7-17(21(13)29-19)18-8-16(24(27)28)6-14-10-20(12(3)4)30-22(14)18/h5-8,19-20H,1,3,9-10H2,2,4H3,(H,25,26)(H,27,28)/t19-,20-/m0/s1 |
| Smiles | CC(=C)[C@@H]1CC2=C(O1)C(=CC(=C2)C(=O)O)C3=CC(=CC4=C3O[C@@H](C4)C(=C)C)C(=O)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aralidium Pinnatifidum (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Bersama Swinnyi (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Blainvillea Latifolia (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Cheilanthes Marantae (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Euphorbia Resinifera (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Eurycoma Longifolia (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Eurycoma Sp (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Geigeria Schinzii (Plant) Rel Props:Source_db:cmaup_ingredients - 9. Outgoing r'ship
FOUND_INto/from Goniothalamus Undulatus (Plant) Rel Props:Source_db:cmaup_ingredients - 10. Outgoing r'ship
FOUND_INto/from Helichrysum Angustifolium (Plant) Rel Props:Source_db:cmaup_ingredients - 11. Outgoing r'ship
FOUND_INto/from Helichrysum Sutherlandii (Plant) Rel Props:Source_db:cmaup_ingredients - 12. Outgoing r'ship
FOUND_INto/from Leontice Kiangnanensis (Plant) Rel Props:Source_db:cmaup_ingredients - 13. Outgoing r'ship
FOUND_INto/from Lophocereus Marginatus (Plant) Rel Props:Source_db:cmaup_ingredients - 14. Outgoing r'ship
FOUND_INto/from Nemuaron Humboldtii (Plant) Rel Props:Source_db:cmaup_ingredients - 15. Outgoing r'ship
FOUND_INto/from Ophryosporus Charua (Plant) Rel Props:Source_db:cmaup_ingredients - 16. Outgoing r'ship
FOUND_INto/from Pachycereus Pringlei (Plant) Rel Props:Source_db:cmaup_ingredients - 17. Outgoing r'ship
FOUND_INto/from Papaver Radicatum (Plant) Rel Props:Source_db:cmaup_ingredients - 18. Outgoing r'ship
FOUND_INto/from Pinus Glauca (Plant) Rel Props:Source_db:cmaup_ingredients - 19. Outgoing r'ship
FOUND_INto/from Prosopis Kuntzei (Plant) Rel Props:Source_db:cmaup_ingredients - 20. Outgoing r'ship
FOUND_INto/from Pteris Spinulosa (Plant) Rel Props:Source_db:cmaup_ingredients - 21. Outgoing r'ship
FOUND_INto/from Stenocereus Thurberi (Plant) Rel Props:Source_db:cmaup_ingredients - 22. Outgoing r'ship
FOUND_INto/from Vitex Negundo (Plant) Rel Props:Source_db:cmaup_ingredients