Capsaicin
PubChem CID: 1548943
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| Compound Synonyms | Capsaicin, 404-86-4, (E)-Capsaicin, Zostrix, CAPSAICINE, Qutenza, trans-Capsaicin, Styptysat, Axsain, Isodecenoic acid vanillylamide, Ausanil, E-CAPSAICIN, Mioton, NGX-4010, trans-8-Methyl-N-vanillyl-6-nonenamide, (E)-8-Methyl-N-vanillyl-6-nonenamide, FEMA No. 3404, Dolenon, Ovocap, Capzasin-hp, Caswell No. 158, Togarashi orenji, ALGRX 4975, C18H27NO3, Ratden pe 40, NCI-C56564, MFCD00017259, NSC 56353, Capsaicina, Capsaicinoid, CCRIS 1588, CHEBI:3374, HSDB 954, Transacin, (e)-n-(4-hydroxy-3-methoxybenzyl)-8-methylnon-6-enamide, Zostrix HP, NGX-1998, EINECS 206-969-8, UNII-S07O44R1ZM, NSC-56353, (6E)-N-(4-hydroxy-3-methoxybenzyl)-8-methylnon-6-enamide, EPA Pesticide Chemical Code 070701, N-(4-Hydroxy-3-methoxybenzyl)-8-methylnon-trans-6-enamide, 8-Methyl-N-vanillyl-trans-6-nonenamide, BRN 2816484, S07O44R1ZM, (E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnon-6-enamide, DTXSID9020241, Capsaicin (JAN/USP), 6-Nonenamide, 8-methyl-N-vanillyl-, (E)-, NSC56353, ZOSTRIX (TN), Cntx-4975, (6E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnon-6-enamide, (E)-N-[(4-HYDROXY-3-METHOXYPHENYL)METHYL]-8-METHYL-6-NONENAMIDE, 6-Nonenamide, N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methyl-, (6E)-, DTXCID30241, ALGRX-4975, CHEMBL294199, 7553-53-9, 1217899-52-9, 6-Nonenamide, N-((4-hydroxy-3-methoxyphenyl)methyl)-8-methyl-, (E)-, Capsaicin [in oleoresin of capsicum], N-(4-hydroxy-3-methoxybenzyl)-8-methylnon-6-enamide, NCGC00017337-02, Capsaicin (USP:INN), Capsaicin [USP:INN], 8-Methyl-N-vanillyl-(trans)-6-nonenamide, Capsaicin(E/Z-Mixture), (E)-N-((4-Hydroxy-3-methoxyphenyl)-methyl)-8-methyl-6-nonenamide, (E)-N-[(4-hydroxy-3-methoxy-phenyl)methyl]-8-methyl-non-6-enamide, 6-Nonenamide, (E)-N-((4-hydroxy-3-methoxy-phenyl)methyl)-8-methyl, 6-Nonenamide, N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methyl-, (E)-, CAPSAICIN (MART.), CAPSAICIN [MART.], CAPSAICIN (USP-RS), CAPSAICIN [USP-RS], Capsaicin [USAN], CAPSAICIN (USP MONOGRAPH), CAPSAICIN [USP MONOGRAPH], Capsicine, Zacin, trans-Capsaicin-d3, Capsaicin Patch, Capsaicin (in oleoresin of capsicum), (6E)-N-{[4-hydroxy-3-(methyloxy)phenyl]methyl}-8-methylnon-6-enamide, 6-Nonenamide, N-((4-hydroxy-3-methoxyphenyl)methyl)-8-methyl-, (6E)-, NGX 4010, CAPSAICIN, NATURAL, 8-Methyl-N-Vanillyl-6-Nonenamide, SR-05000001861, capsaicinum, neurotoxic, Isodecenoate, Zucapsaicin, Civamide, cis-Capsaicin, Capsacin, Capsimide, N-[(4-Hydroxy-3-methoxyphenyl)methyl]-8-methyl-6-nonenamide, Neuriterx, Neuritrx, Adlea, Awaye, 8-Methyl-N-vanillyl-6-nonenamide, (E)-, BioMega, TNP00277, Ageranium Patch, Capsaicin Cream, Capsaicin Heat, Castiva Warming, Guardania Pain, Medicated Heat, Rugby Capsaicin, (E)-N-[(4-Hydroxy-3-methoxyphenyl)-methyl]-8-methyl-6-nonenamide, Satogesic Hot, MediRelief Hot, SprayPain Away, epsilon-capsaicin, Pure Relief, CVS Capsaicin, Painazin CP, 6-Nonenamide, N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methyl-, (6Z)-, Bio-Sorb, capsacin(E), Capsaicin Extract, NobleAid CapsAid, Qutenza, Vanilloid, Melt Pain Away, Red Hot, PainBloc24, Capsaicin,(S), Nufabrx Back Wrap, Nufabrx Neck Wrap, Gellert Joint Care, Nufabrx Arm Sleeve, 4DY, CAS-404-86-4, Omega 3, Prestwick_204, CVS Roll-On, Nufabrx Calf Sleeve, Nufabrx Knee Sleeve, Capsaicin (Natural), Capsaicin - Natural, Capsaicin 0.15, Capsaisin 0.1%, depletes Substance P, LivReliefPain Relief, CAPSAISIN, CAPZIX, Nufabrx Ankle Sleeve, Nufabrx Wrist Sleeve, REZIL, Capsaicin (Standard), FlexxSonicPain Relief, Hot SpotPoint Relief, Capsaicin 0.05%, Capsaicin 0.15%, Capsaicin 0.25%, Capsaicin Pain Relief, Rugby Capsaicin Cream, capsaicin 0.075%, LEADER CAPSAICIN, MEIJER CAPSAICIN, A2A ARTHRITIS, Coralite Medicated Heat, HOT PAIN RELIEF, RETADOLORPain Relief, Sure Relief SR Relief, Sure Result SR Relief, Walgreens Capsaicin Hot, starbld0019180, Campo pharma Muscle hot, CAPSAICIN [INN], CAPSAICIN [JAN], Capsaicin 0.1 Percent, CAPSAICIN [MI], 6-Nonenamide, (E)-, EQUI-BLOCKORIGINAL, CAPSAICIN [HSDB], Nufabrx Lower Leg Sleeve, Prestwick2_000879, Prestwick3_000879, Spectrum5_000538, Zostrix Original Strength, CAPSAICIN [VANDF], CapsaicinTopical Analgesic, QC Arthritis Pain Relief, SCREAMIN HOT TOAST, Wellness Products VictoRx, CapsaicinExternal Analgesic, Medicated Compression Sock, N-((4-Hydroxy-3-methoxyphenyl)methyl)-8-methyl-6-nonenamide, (E)-, Nufabrx Foot/Ankle Sleeve, Nufabrx Hand/Wrist Sleeve, Wellness Products J-FLEX, CVS Medicated Heat 1 ct, SINSINPAS HOT LARGE, 2-Count HEAT PATCHES, UPCMLD-DP092, Capsaicin 0.075 Percent, EQUI-BLOCKDT FORMULA, CAPSAICIN [WHO-DD], SCHEMBL8085, SCHEMBL8086, CANNAVERA PAIN RELIEF, CAPSAICIN HOT PATCHES, EARTHS CARE ARTHRITIS, MR3H3, Revlex Arthritis Pain Relief, Solstice Capsaicin Patch Hot, BSPBio_000957, BSPBio_001548, BSPBio_002917, CAPSAICIN [EMA EPAR], CareALL Arthritis and Muscle, RITE AID CAPSICUM HOT, MLS002154049, N-((4-Hydroxy-3-methoxyphenyl)methyl)-8-methyl-6-nonenamide, ASTRAPHARM CHILLI BRAND, Capsaicin from Capsicum annuum, Capsaicin, analytical standard, SPECTRUM1501128, WellPatch Warming Pain Relief, BRONSON SOOTHE Pain Relief, FYZICAL SPORTS Pain Relief, Nufabrx Medicine Infused Socks, Rugby Arthritis Pain Relieving, 6-Nonenamide, N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methyl-, Nufabrx Lower Leg Sleeve M/L, BPBio1_001053, Equate Capsaicin Pain Relieving, GTPL2486, HURT BLOCKER PROPain Relief, MEGxp0_001448, CAPSAICIN [ORANGE BOOK], Nufabrx Lower Leg Sleeve XS/S, Good Neighbor Pharmacy Capsaicin, UPCMLD-DP092:001, UPCMLD-DP092:002, BDBM20461, BDBM86537, Better Nature Pain Relief BalmX, CHEBI:94524, Fast Arthritis AidPain Relieving, HMS501B16, Rugby CapsaicinExternal Analgesic, Sherman and Clark Pain Relieving, Family Care Arthritis Pain Relief, Nufabrx Lower Leg Sleeve XL/XXL, Capsaicin 0.025% Topical Patch, Capzasin HP Arthritis Pain Relief, HMS1361N10, HMS1570P19, HMS1791N10, HMS1921H11, HMS1989N10, HMS2089N11, HMS2092D21, HMS2097P19, HMS2230O23, HMS3402N10, HMS3414F11, HMS3649N15, HMS3678F11, Penetrex(r) Arthritis Pain Relief, Pharmakon1600-01501128, Pure ReliefPenetrating Pain Relief, Capsaicin HP Arthritis Pain Relief, Frankie Avalons Zero Pain Roll On, Leader Capsaicin Pain Relief Cream, 8-Methyl-N-vanillyl-6E-nonenamide, beeRX Muscle and Joint Pain Relief, CVS Capsaicin arthritis pain relief, DCH Arthritis Pain Relief Roll-On, NGX-3781, NGX-7325, NSC_2548, Miracle Plus OvernightPain Relieving, Tox21_110817, Tox21_200315, BBL027836, CCG-39657, CCG-39908, EI-125, HB1179, HY-10448A, HY-10448R, LMFA08020085, NSC757844, s1990, STL372889, Toplast Hot Capsaicin 0.025percent, Nufabrx Medicine Infused Ankle Sleeve, (E)8-methyl-N-vanillyl-6-Nonenamide, AKOS007930159, AVON HeXashield Arthritis Pain Relief, Zostrix High Potency Foot Pain Relief, (6E)-N-, CS-1518, DB06774, FC19672, FYZICAL SPORTS Pain Relief 2 MILD, KS-5181, NSC-757844, SDCCGMLS-0066678.P001, TQ-1018, Capsaicin 10 microg/mL in Acetonitrile, Capsaicin, >=95%, from Capsicum sp., Dr. Harveys Herbal Motion Pain Formula, IDI1_000354, IDI1_034018, SMP2_000337, NCGC00017337-03, NCGC00017337-04, NCGC00017337-05, NCGC00017337-06, NCGC00017337-07, NCGC00017337-08, NCGC00017337-09, NCGC00017337-10, NCGC00017337-11, NCGC00017337-12, NCGC00017337-13, NCGC00017337-17, NCGC00017337-18, NCGC00090853-01, NCGC00090853-02, NCGC00090853-03, NCGC00090853-04, NCGC00090853-06, NCGC00090853-07, NCGC00090853-08, NCGC00090853-09, NCGC00090853-10, NCGC00090853-11, NCGC00090853-12, NCGC00257869-01, USEPA/OPP Pesticide Code: 070701, AC-10114, CAPSAICIN HEAT PATCHES PAIN RELIEF, CAS_404-86-4, HY-10448, LS-14673, SMR000718774, XC180968, CAPSAICIN (CONSTITUENT OF CAPSICUM), SBI-0052593.P002, Dusel Warm Arthritis Dead Sea Salt Therapy, CS-0181240, Good Neighbor Capsaicin Heat Patch for Back, M1149, NS00004284, (E)-8-Methyl-N-vanillyl-6-nonenamide(8cl), C06866, D00250, Rugby Arthritis Pain RelievingTopical Analgesic, AB00053098-11, AB00053098_12, ASTRAPHARM CHILLI BRAND EXTERNAL MEDICATED, Capsaicin, from Capsicum sp., >=50% (HPLC), EN300-7544118, 826 - Capsaicin and heat units in chilli powder, CAPSAICIN (CONSTITUENT OF CAPSICUM) [DSC], CAPSAICIN HEAT PATCHES BACK AND LARGE AREAS, N-[(4-hydroxy-3-methoxy-phenyl)methyl]nonanamide, Q273169, AVON HeXashield Arthritis Pain ReliefCream Capsaisin, Hempvana Ultra Strength Pain Relief Cream-Deep Heat, SR-05000001861-1, SR-05000001861-4, SR-05000001861-5, SR-05000001861-6, SR-05000001861-9, Walgreens Arthritis Pain Relief Capsaicin Analgesic, BRD-K37056290-001-01-1, BRD-K50590187-001-06-6, BRD-K50590187-001-19-9, BRD-K50590187-001-20-7, Capsaicin, certified reference material, TraceCERT(R), Flavor and Extract Manufacturers' Association No. 3404, Capsaicin, European Pharmacopoeia (EP) Reference Standard, (6E)-N-(4-Hydroxy-3-methoxybenzyl)-8-methyl-6-nonenamide #, Capsaicin, United States Pharmacopeia (USP) Reference Standard, Capsaicin, 8-Methyl-N-vanillyl-trans-6-nonenamide, NGX-4010, N-[(4-hydroxy-3-methoxyphenyl)methyl]-6E-8-methyl-nonenamide, N-(4-HYDROXY-3-METHOXYBENZYL)-8-METHYL-6-NONENAMIDE [FHFI], trans-N-((4-Hydroxy-3-methoxyphenyl)methyl)-8-methyl-6-nonenamide, Capsaicin, Pharmaceutical Secondary Standard, Certified Reference Material, (6E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methyl-6-nonenamide, (E)-8-Methyl-N-vanillyl-6-nonenamide, 206-969-8 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 58.6 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Np Classifier Class | Capsaicins and Capsaicinoids, Phenylalanine-derived alkaloids |
| Deep Smiles | COcccCNC=O)CCCC/C=C/CC)C)))))))))))ccc6O |
| Heavy Atom Count | 22.0 |
| Classyfire Class | Phenols |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Methoxyphenols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 341.0 |
| Database Name | cmaup_ingredients;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | O35433, P54577, Q8NER1, P23219, P15304, P21554, P34972, Q03164, P02545, Q99714, Q16637, P10636, P00352, Q9F4F7, P97697, P16050, P28482, P51450, P08684, P04062, O15648, Q13951, P10275, P83916, Q9UNA4, P37231, P05177, n.a., Q6RI86, P25094, Q16236, O94925, P51449, O42275, P81908, P03887, Q9NUW8, Q8R4D5, P27695, P02766, Q09470, O95342, P0A0J7, P09917, P0DTD1, P22303, P06276, Q03181 |
| Iupac Name | (E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnon-6-enamide |
| Prediction Hob | 1.0 |
| Class | Phenols |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Target Id | NPT5472, NPT472, NPT30, NPT483, NPT149, NPT93, NPT51, NPT94, NPT792, NPT282, NPT109, NPT208, NPT2592, NPT713, NPT570 |
| Xlogp | 3.6 |
| Superclass | Benzenoids |
| Subclass | Methoxyphenols |
| Gsk 4 400 Rule | True |
| Molecular Formula | C18H27NO3 |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YKPUWZUDDOIDPM-SOFGYWHQSA-N |
| Silicos It Class | Moderately soluble |
| Fcsp3 | 0.5 |
| Logs | -3.689 |
| Rotatable Bond Count | 9.0 |
| State | Solid |
| Logd | 3.525 |
| Synonyms | (e)-8-Methyl-N-vanillyl-6-nonenamide, Isodecenoic acid vanillylamide, trans-8-Methyl-N-vanillyl-6-nonenamide, Zostrix, Isodecenoate vanillylamide, (e)-8-Methyl-N-vanillyl-6-nonenamide(8CL), (e)8-Methyl-N-vanillyl-6-nonenamide, Axsain, e-Capsaicin, epsilon-Capsaicin, Isodecenoate, Isodecenoic acid, N-(4-Hydroxy-3-methoxybenzyl)-8-methylnon-trans-6-enamide, Styptysat, Transacin, Gelcen, Link brand OF capsaicin, 8 Methyl N vanillyl 6 nonenamide, Capsicum farmaya, Capzasin, Flemming brand OF capsaicin, 8-Methyl-N-vanillyl-6-nonenamide, Capsin, Katrum, Medicis brand OF capsaicin, Smaller brand OF capsaicin, Thompson brand OF capsaicin, Vinas brand OF capsaicin, Alacan brand OF capsaicin, Antiphlogistine rub a-535 capsaicin, Capsaicine, Capsidol, Carter horner brand OF capsaicin, Centrum brand OF capsaicin, Elan brand OF capsaicin, Zacin, capsaicin, capsidol |
| Esol Class | Soluble |
| Functional Groups | C/C=C/C, CNC(C)=O, cO, cOC |
| Compound Name | Capsaicin |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 305.199 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 305.199 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 305.4 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Lipinski Rule Of 5 | True |
| Esol | -3.9307097818181815 |
| Inchi | InChI=1S/C18H27NO3/c1-14(2)8-6-4-5-7-9-18(21)19-13-15-10-11-16(20)17(12-15)22-3/h6,8,10-12,14,20H,4-5,7,9,13H2,1-3H3,(H,19,21)/b8-6+ |
| Smiles | CC(C)/C=C/CCCCC(=O)NCC1=CC(=C(C=C1)O)OC |
| Nring | 1.0 |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 1.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Methoxyphenols |
| Np Classifier Superclass | Pseudoalkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Campsis Grandiflora (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 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 Frutescens (Plant) Rel Props:Source_db:npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Catharanthus Roseus (Plant) Rel Props:Reference:https://doi.org/10.1093/database/bav075 - 5. Outgoing r'ship
FOUND_INto/from Datura Stramonium (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279 - 6. Outgoing r'ship
FOUND_INto/from Glehnia Littoralis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Imperata Cylindrica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Mangifera Indica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Panax Ginseng (Plant) Rel Props:Reference:https://www.ncbi.nlm.nih.gov/pubmed/21112836 - 10. Outgoing r'ship
FOUND_INto/from Piper Nigrum (Plant) Rel Props:Reference:https://www.ncbi.nlm.nih.gov/pubmed/20516541 - 11. Outgoing r'ship
FOUND_INto/from Ruta Graveolens (Plant) Rel Props:Reference:https://www.ncbi.nlm.nih.gov/pubmed/1916219 - 12. Outgoing r'ship
FOUND_INto/from Thalictrum Ichangense (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all