Muscalure
PubChem CID: 5365075
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| Compound Synonyms | Muscalure, cis-9-Tricosene, 27519-02-4, (Z)-9-Tricosene, 9-Tricosene, (9Z)-, cis-Tricos-9-ene, 9-Tricosene, (Z)-, Muscamone, (Z)-tricos-9-ene, 9Z-Tricosene, Caswell No. 883C, (9Z)-9-Tricosene, EINECS 248-505-7, 6BSP6HFW73, ENT 35349, (9Z)-Tricosene, EPA Pesticide Chemical Code 103201, BRN 1841622, AI3-35349, MUSCALURE [MI], TRICOSENE, Z-9-, DTXSID0032653, 9-?Tricosene, UNII-6BSP6HFW73, cisTricos9ene, 9Tricosene, (Z), 9Tricosene, (9Z), Muscalure cis9Tricosene, (9Z)-tricos-9-ene, Z-9-TRICOSENE, (9Z)-9-Tricosene #, (Z)-9-Tricosene, 97%, CHEMBL1894305, DTXCID8012653, CHEBI:194482, LMFA11000117, 9Z-Tricosene CAS 27519-02-4, AKOS024462408, CS-W009881, FT32734, HY-W009165, NCGC00163763-01, AS-14813, PD057642, NS00001975, T1242, Muscalure, PESTANAL(R), analytical standard, H10912, Q135445, 248-505-7 |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 216.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P10828, Q96RI1, P11473 |
| Iupac Name | (Z)-tricos-9-ene |
| Prediction Hob | 0.0 |
| Xlogp | 11.7 |
| Molecular Formula | C23H46 |
| Prediction Swissadme | 0.0 |
| Inchi Key | IGOWHGRNPLFNDJ-ZPHPHTNESA-N |
| Fcsp3 | 0.9130434782608696 |
| Logs | -4.812 |
| Rotatable Bond Count | 19.0 |
| Logd | 5.15 |
| Compound Name | Muscalure |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 322.36 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 322.36 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 322.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -7.982450200000001 |
| Inchi | InChI=1S/C23H46/c1-3-5-7-9-11-13-15-17-19-21-23-22-20-18-16-14-12-10-8-6-4-2/h17,19H,3-16,18,20-23H2,1-2H3/b19-17- |
| Smiles | CCCCCCCCCCCCC/C=C\CCCCCCCC |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Elaeocarpus Mastersii (Plant) Rel Props:Source_db:npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Melia Azedarach (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Nerium Oleander (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Panax Ginseng (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Terminalia Chebula (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all