Cytochalasin Z4
PubChem CID: 21574191
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| Compound Synonyms | Cytochalasin Z4, (1S,4E,6R,10R,12E,14S,15S,17S,18S,19S)-6,15-dihydroxy-19-[(2-hydroxyphenyl)methyl]-10,17-dimethyl-16-methylidene-2-oxa-20-azatricyclo[12.7.0.01,18]henicosa-4,12-diene-3,21-dione, (1S,4E,6R,10R,12E,14S,15S,17S,18S,19S)-6,15-dihydroxy-19-((2-hydroxyphenyl)methyl)-10,17-dimethyl-16-methylidene-2-oxa-20-azatricyclo(12.7.0.01,18)henicosa-4,12-diene-3,21-dione, CHEMBL467209, CHEBI:199625, 646502-48-9 |
|---|---|
| Prediction Swissadme | 1.0 |
| Topological Polar Surface Area | 116.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Inchi Key | MCTQEULMNSKBJK-YKQYRMHISA-N |
| Fcsp3 | 0.5172413793103449 |
| Rotatable Bond Count | 2.0 |
| Heavy Atom Count | 36.0 |
| Compound Name | Cytochalasin Z4 |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 495.262 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 495.262 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 898.0 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 495.6 |
| Database Name | cmaup_ingredients;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 8.0 |
| Iupac Name | (1S,4E,6R,10R,12E,14S,15S,17S,18S,19S)-6,15-dihydroxy-19-[(2-hydroxyphenyl)methyl]-10,17-dimethyl-16-methylidene-2-oxa-20-azatricyclo[12.7.0.01,18]henicosa-4,12-diene-3,21-dione |
| Total Atom Stereocenter Count | 8.0 |
| Total Bond Stereocenter Count | 2.0 |
| Prediction Hob | 0.0 |
| Esol | -5.298152533333334 |
| Inchi | InChI=1S/C29H37NO6/c1-17-8-6-11-21(31)14-15-25(33)36-29-22(12-7-9-17)27(34)19(3)18(2)26(29)23(30-28(29)35)16-20-10-4-5-13-24(20)32/h4-5,7,10,12-15,17-18,21-23,26-27,31-32,34H,3,6,8-9,11,16H2,1-2H3,(H,30,35)/b12-7+,15-14+/t17-,18-,21-,22+,23+,26+,27-,29-/m1/s1 |
| Smiles | C[C@@H]1CCC[C@H](/C=C/C(=O)O[C@]23[C@@H](/C=C/C1)[C@@H](C(=C)[C@H]([C@H]2[C@@H](NC3=O)CC4=CC=CC=C4O)C)O)O |
| Xlogp | 3.0 |
| Defined Bond Stereocenter Count | 2.0 |
| Molecular Formula | C29H37NO6 |
- 1. Outgoing r'ship
FOUND_INto/from Aconitum Brevicalcaratum (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Ammodendron Conollyi (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Cirsium Dipsacolepis (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Cocculus Diversifolius (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Crinum Kirkii (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Croton Rhamnifolius (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Cytisus Scoparius (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Eria Subsessilis (Plant) Rel Props:Source_db:cmaup_ingredients - 9. Outgoing r'ship
FOUND_INto/from Hypericum Triquetrifolium (Plant) Rel Props:Source_db:cmaup_ingredients - 10. Outgoing r'ship
FOUND_INto/from Isodon Japonicus (Plant) Rel Props:Source_db:cmaup_ingredients - 11. Outgoing r'ship
FOUND_INto/from Knightia Deplanchei (Plant) Rel Props:Source_db:cmaup_ingredients - 12. Outgoing r'ship
FOUND_INto/from Malva Sylvestris (Plant) Rel Props:Source_db:cmaup_ingredients - 13. Outgoing r'ship
FOUND_INto/from Mesembryanthemum Anatomicum (Plant) Rel Props:Source_db:cmaup_ingredients - 14. Outgoing r'ship
FOUND_INto/from Myrica Multiflora (Plant) Rel Props:Source_db:cmaup_ingredients - 15. Outgoing r'ship
FOUND_INto/from Nerium Oleander (Plant) Rel Props:Source_db:cmaup_ingredients - 16. Outgoing r'ship
FOUND_INto/from Plantago Lanceolata (Plant) Rel Props:Source_db:cmaup_ingredients - 17. Outgoing r'ship
FOUND_INto/from Ptilidium Ciliare (Plant) Rel Props:Source_db:cmaup_ingredients - 18. Outgoing r'ship
FOUND_INto/from Scutellaria Seleriana (Plant) Rel Props:Source_db:cmaup_ingredients - 19. Outgoing r'ship
FOUND_INto/from Solanum Racemigerum (Plant) Rel Props:Source_db:cmaup_ingredients - 20. Outgoing r'ship
FOUND_INto/from Teucrium Pestalozzae (Plant) Rel Props:Source_db:cmaup_ingredients - 21. Outgoing r'ship
FOUND_INto/from Trifolium Apertum (Plant) Rel Props:Source_db:cmaup_ingredients - 22. Outgoing r'ship
FOUND_INto/from Tripodanthus Acutifolius (Plant) Rel Props:Source_db:cmaup_ingredients - 23. Outgoing r'ship
FOUND_INto/from Veronica Pectinata (Plant) Rel Props:Source_db:cmaup_ingredients - 24. Outgoing r'ship
FOUND_INto/from Viguiera Annua (Plant) Rel Props:Source_db:cmaup_ingredients