Olvanil
PubChem CID: 5311093
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| Compound Synonyms | OLVANIL, 58493-49-5, N-Vanillyloleamide, (Z)-N-[(4-hydroxy-3-methoxyphenyl)methyl]octadec-9-enamide, Olvanilo, N-Vannilyloleoylamide, TCMDC-124289, NE-19550, CHEMBL76903, DTXSID1045669, 4P7KIU7003, Olvanil (USAN), NCGC00024885-01, OLVANIL [USAN], DTXCID9025669, Olvanilum, 9-Octadecenamide, N-((4-hydroxy-3-methoxyphenyl)methyl)-, (Z)-, Olvanilum [Latin], Olvanilo [Spanish], CAS-58493-49-5, NE 19550, Olvanil [USAN:INN], SR-01000597478, (N-Vanillyl)-9-oleamide, UNII-4P7KIU7003, 9-Octadecenamide, N-[(4-hydroxy-3-methoxyphenyl)methyl]-, (Z)-, Olvanil, powder, Tocris-0934, OLVANIL [INN], N-[(4-Hydroxy-3-methoxyphenyl)methyl]-9-octadecenamide, SCHEMBL94262, GTPL2488, BDBM20460, CHEBI:177616, HMS3262E17, HMS3411J12, HMS3649J03, HMS3675J12, N-((4-Hydroxy-3-methoxyphenyl)methyl)-9-octadecenamide (Z)-, ICA49349, Olvanil (cis- and trans- mixture), Tox21_110935, Tox21_500668, MFCD00673962, AKOS024458705, n-(4-hydroxy-3-methoxybenzyl)oleamide, Tox21_110935_1, CCG-221972, LP00668, SDCCGSBI-0633742.P001, NCGC00024885-02, NCGC00024885-03, NCGC00024885-08, NCGC00261353-01, DA-76412, MS-27291, HY-101323, CS-0021154, D05249, SR-01000597478-1, SR-01000597478-3, BRD-K31560319-001-01-5, Q27088176, (9Z)-N-(4-Hydroxy-3-methoxybenzyl)-9-octadecenamide #, (9Z)-N-[(4-hydroxy-3-methoxyphenyl)methyl]octadec-9-enamide, (Z)-N-[(4-hydroxy-3-methoxy-phenyl)methyl]octadec-9-enamide, (Z)-Octadec-9-enoic acid, amide, N-(4-hydroxy-3-methoxyphenyl)- |
|---|---|
| Topological Polar Surface Area | 58.6 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 30.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 438.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | O35433, Q8NER1, Q03164, P42345, P10636, P15917, P15428, P04637, P10635, P08684, P21728, Q96KQ7, O89049, P05177, P39748, Q9UBT6, O94782, P25094, O75496, Q9NUW8, P15289, P11166, O97467, O61059, Q9WUD2, n.a., P0DTD1, Q16236, P04792, Q03181, P19838, P05412 |
| Iupac Name | (Z)-N-[(4-hydroxy-3-methoxyphenyl)methyl]octadec-9-enamide |
| Prediction Hob | 0.0 |
| Target Id | NPT472, NPT940, NPT51, NPT151, NPT539, NPT110, NPT109, NPT208 |
| Xlogp | 8.1 |
| Molecular Formula | C26H43NO3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | OPZKBPQVWDSATI-KHPPLWFESA-N |
| Fcsp3 | 0.6538461538461539 |
| Logs | -2.902 |
| Rotatable Bond Count | 18.0 |
| Logd | 4.467 |
| Compound Name | Olvanil |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 417.324 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 417.324 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 417.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -6.8451308 |
| Inchi | InChI=1S/C26H43NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26(29)27-22-23-19-20-24(28)25(21-23)30-2/h10-11,19-21,28H,3-9,12-18,22H2,1-2H3,(H,27,29)/b11-10- |
| Smiles | CCCCCCCC/C=C\CCCCCCCC(=O)NCC1=CC(=C(C=C1)O)OC |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Capsicum Annum (Plant) Rel Props:Reference: - 2. Outgoing r'ship
FOUND_INto/from Capsicum Annuum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Capsicum Baccatum (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Capsicum Festigiatum (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Capsicum Frutescens (Plant) Rel Props:Reference: - 6. Outgoing r'ship
FOUND_INto/from Capsicum Minimum (Plant) Rel Props:Reference: - 7. Outgoing r'ship
FOUND_INto/from Capsicum Tetragonum (Plant) Rel Props:Reference: