Queen substance
PubChem CID: 1713086
Connections displayed (default: 10).
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| Compound Synonyms | Queen substance, 334-20-3, 9-oxodec-2-enoic acid, (E)-9-oxodec-2-enoic acid, (E)-9-Oxo-2-decenoic acid, 9-oxo-2-decenoic acid, 9-oxo-2E-decenoic acid, (2E)-9-oxo-2-decenoic acid, 2-Decenoic acid, 9-oxo-, (E)-, 618LR3X900, 2575-01-1, 9-Keto-2-decenoic acid, cis-9-Oxo-2-decenoic acid, UNII-618LR3X900, AI3-50125, 2-Decenoic acid, 9-oxo-, QUEEN SUBSTANCE [MI], 9-Oxo-2(E)-Decenoic Acid, trans-9-oxo-2-decenoic acid, SCHEMBL632925, SCHEMBL632926, 9-Keto-trans-2-decenoic acid, (E)-9-oxo-dec-2-enoic acid, (E)-9-OXODECENOIC ACID, CHEBI:165439, INJRDZMWIAYEMM-SOFGYWHQSA-N, 9OD, ALBB-036804, LMFA01060082, MFCD00204505, (E)-9-KETO-2-DECENOIC ACID, AKOS006228425, TRANS-9-KETO-2-DECENOIC ACID, HY-W340009, 9-OXO-2-DECENOIC ACID, (2E)-, 2-DECENOIC ACID, 9-OXO-, TRANS-, CS-0451204, AG-227/32511012, Q27263314 |
|---|---|
| Topological Polar Surface Area | 54.4 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 194.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-9-oxodec-2-enoic acid |
| Prediction Hob | 1.0 |
| Xlogp | 1.6 |
| Molecular Formula | C10H16O3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | INJRDZMWIAYEMM-SOFGYWHQSA-N |
| Fcsp3 | 0.6 |
| Logs | -0.961 |
| Rotatable Bond Count | 7.0 |
| Logd | 0.18 |
| Compound Name | Queen substance |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 184.11 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 184.11 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 184.23 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -1.5282570000000002 |
| Inchi | InChI=1S/C10H16O3/c1-9(11)7-5-3-2-4-6-8-10(12)13/h6,8H,2-5,7H2,1H3,(H,12,13)/b8-6+ |
| Smiles | CC(=O)CCCCC/C=C/C(=O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Anodendron Affine (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Cedrela Salvadorensis (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Garcinia Cambogia (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Hertia Cheirifolia (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Licaria Chrysophylla (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Ormosia Hosiei (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Ornithoglossum Viride (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Petasites Laevigatus (Plant) Rel Props:Source_db:cmaup_ingredients - 9. Outgoing r'ship
FOUND_INto/from Rubia Tetragona (Plant) Rel Props:Source_db:cmaup_ingredients - 10. Outgoing r'ship
FOUND_INto/from Schizanthus Tricolor (Plant) Rel Props:Source_db:cmaup_ingredients - 11. Outgoing r'ship
FOUND_INto/from Sphaeranthus Confertifolius (Plant) Rel Props:Source_db:cmaup_ingredients