Vibsanin V
PubChem CID: 11267134
Connections displayed (default: 10).
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| Compound Synonyms | Vibsanin V, (1S,4E,7S,8E,11S)-7-(3-hydroxy-4-methylpent-4-enyl)-7,11-dimethyl-12-oxabicyclo(9.1.0)dodeca-4,8-diene-4-carbaldehyde, (1S,4E,7S,8E,11S)-7-(3-hydroxy-4-methylpent-4-enyl)-7,11-dimethyl-12-oxabicyclo[9.1.0]dodeca-4,8-diene-4-carbaldehyde, CHEMBL513707, 666825-26-9 |
|---|---|
| Topological Polar Surface Area | 49.8 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 519.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (1S,4E,7S,8E,11S)-7-(3-hydroxy-4-methylpent-4-enyl)-7,11-dimethyl-12-oxabicyclo[9.1.0]dodeca-4,8-diene-4-carbaldehyde |
| Prediction Hob | 1.0 |
| Xlogp | 3.9 |
| Molecular Formula | C20H30O3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | ACQYLNJYSCYZAF-JRBVDQLDSA-N |
| Fcsp3 | 0.65 |
| Logs | -2.545 |
| Rotatable Bond Count | 5.0 |
| Logd | 3.012 |
| Compound Name | Vibsanin V |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 318.219 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 318.219 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 318.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -3.9477334000000006 |
| Inchi | InChI=1S/C20H30O3/c1-15(2)17(22)9-13-19(3)10-5-11-20(4)18(23-20)7-6-16(14-21)8-12-19/h5,8,10,14,17-18,22H,1,6-7,9,11-13H2,2-4H3/b10-5+,16-8+/t17?,18-,19+,20-/m0/s1 |
| Smiles | CC(=C)C(CC[C@]\1(C/C=C(\CC[C@H]2[C@@](O2)(C/C=C1)C)/C=O)C)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 2.0 |
- 1. Outgoing r'ship
FOUND_INto/from Viburnum Acuminatum (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Viburnum Awabuki (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Viburnum Ayavacense (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Viburnum Betulifolium (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Viburnum Chingii (Plant) Rel Props:Reference: - 6. Outgoing r'ship
FOUND_INto/from Viburnum Colebrookianum (Plant) Rel Props:Reference: - 7. Outgoing r'ship
FOUND_INto/from Viburnum Coriaceum (Plant) Rel Props:Reference: - 8. Outgoing r'ship
FOUND_INto/from Viburnum Cotinifolium (Plant) Rel Props:Reference: - 9. Outgoing r'ship
FOUND_INto/from Viburnum Cylindricum (Plant) Rel Props:Reference: - 10. Outgoing r'ship
FOUND_INto/from Viburnum Davidii (Plant) Rel Props:Reference: - 11. Outgoing r'ship
FOUND_INto/from Viburnum Dilatatum (Plant) Rel Props:Reference: - 12. Outgoing r'ship
FOUND_INto/from Viburnum Erubescens (Plant) Rel Props:Reference: - 13. Outgoing r'ship
FOUND_INto/from Viburnum Foetidum (Plant) Rel Props:Reference: - 14. Outgoing r'ship
FOUND_INto/from Viburnum Furcatum (Plant) Rel Props:Reference: - 15. Outgoing r'ship
FOUND_INto/from Viburnum Grandiflorum (Plant) Rel Props:Reference: - 16. Outgoing r'ship
FOUND_INto/from Viburnum Grandifolium (Plant) Rel Props:Reference: - 17. Outgoing r'ship
FOUND_INto/from Viburnum Lantana (Plant) Rel Props:Reference: - 18. Outgoing r'ship
FOUND_INto/from Viburnum Luzonicum (Plant) Rel Props:Reference: - 19. Outgoing r'ship
FOUND_INto/from Viburnum Nervosum (Plant) Rel Props:Reference: - 20. Outgoing r'ship
FOUND_INto/from Viburnum Odoratissimum (Plant) Rel Props:Reference: - 21. Outgoing r'ship
FOUND_INto/from Viburnum Opulus (Plant) Rel Props:Reference: - 22. Outgoing r'ship
FOUND_INto/from Viburnum Orientale (Plant) Rel Props:Reference: - 23. Outgoing r'ship
FOUND_INto/from Viburnum Prunifolium (Plant) Rel Props:Reference: - 24. Outgoing r'ship
FOUND_INto/from Viburnum Punctatum (Plant) Rel Props:Reference: - 25. Outgoing r'ship
FOUND_INto/from Viburnum Rhytidophyllum (Plant) Rel Props:Reference: - 26. Outgoing r'ship
FOUND_INto/from Viburnum Sieboldi (Plant) Rel Props:Reference: - 27. Outgoing r'ship
FOUND_INto/from Viburnum Suspensum (Plant) Rel Props:Reference: - 28. Outgoing r'ship
FOUND_INto/from Viburnum Urceolatum (Plant) Rel Props:Reference: