Tretinoin
PubChem CID: 444795
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| Compound Synonyms | Retinoic acid, tretinoin, 302-79-4, all-trans-Retinoic acid, Vitamin A acid, trans-Retinoic acid, ATRA, Renova, Retin-A, Vesanoid, Aberel, Eudyna, Airol, All-trans Retinoic Acid, all-trans-Vitamin A acid, Dermairol, Aknefug, Aknoten, TRETINON, Atralin, Cordes vas, Epi-aberel, Tretin M, Retin A, Retin-A Micro, Tretinoina, Effederm, all-trans-Vitamin A1 acid, all-trans-Tretinoin, Retionic acid, All Trans Retinoic Acid, Avita, Vitamin A1 acid, all-trans-, beta-Retinoic acid, all-(E)-Retinoic acid, Vitamin A acid, all-trans-, (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoic acid, Tretinoine, Tretinoino, Tretinoinum, Aberela, Acnavit, Avitoin, A-Vitaminsyre, Retinoic acid, all-trans-, Alltrans-retinoic acid, NSC-122758, Retinoate, Kerlocal, Retacnyl, Vesnaroid, Ro 1-5488, Oristar rna, Tretinoin, all-trans-, all trans-Retinoic acid, Stieva-A, Tretinoine [INN-French], Tretinoinum [INN-Latin], Tretinoina [INN-Spanish], Tretinoino [INN-Spanish], all-trans-beta-Retinoic acid, .beta.-Retinoic acid, CCRIS 3294, RETINOIC ACID, ALL TRANS, HSDB 2169, Tretinoin/All-Trans Retinoic Acid, Aberela [Norway], Avitoin [Norway], Effederm [France], (all-E)-3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenoic acid, EINECS 206-129-0, MFCD00001551, NSC 122758, UNII-5688UTC01R, A-Acido (Argentina), 3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenoic acid, ALTRENO, BRN 2057223, MLS000028588, b-Retinoic acid, DTXSID7021239, Retinoic acid (GMP), 5688UTC01R, AT-RA, CHEMBL38, (2E,4E,6E,8E)-3,7-Dimethyl-9-(2,6,6-trimethylcyclohex-1-enyl)nona-2,4,6,8-tetraenoic acid, (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoic acid, 2,4,6,8-Nonatetraenoic acid, 3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (all-E)-, NSC122758, Renova (0.02% cream), Altreno (0.05% lotion), Avita (0.025% gel), Atragen, Retinova, SMR000058245, Retinoic acid, 9-cis-, ZIANA COMPONENT TRETINOIN, CHEBI:15367, SOLAGE COMPONENT TRETINOIN, TWYNEO COMPONENT TRETINOIN, VELTIN COMPONENT TRETINOIN, 15-Apo-beta-caroten-15-oic acid, Tretinoin [USAN:USP:INN:BAN], Tretinoin (TN), beta-Ra, TRI-LUMA COMPONENT TRETINOIN, Acnavit [Denmark], AGN 100335, Retin A (TN), NCGC00017280-10, Betarretin, Tretinoine (INN-French), Tretinoinum (INN-Latin), 11-cis,13-cis-, all-trans-b-Retinoic acid, Cordes VAS [Germany], Tretinoina (INN-Spanish), Tretinoino (INN-Spanish), TRETINOIN (MART.), TRETINOIN [MART.], TRETINOIN (USP-RS), TRETINOIN [USP-RS], A-Vitaminsyre [Denmark], 3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexene-1-yl)-2,4,6,8-nonatetraenoic acid (ECL), trans-Retinoate, beta-Retinoate, DTXCID001239, tretinoine (French) (EINECS), TRETINOIN (EP MONOGRAPH), TRETINOIN [EP MONOGRAPH], cis-Retinoic acid, TRETINOIN (USP MONOGRAPH), TRETINOIN [USP MONOGRAPH], Acide retinoique (French) (DSL), Tretinoin (USAN:USP:INN:BAN), Refissa, Nexret, Vitamin a acid, trans-, Retisol-A, LGD 100057, Acid A Vit (Belgium, Netherlands), 3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2E,4E,6E,8E-tetraenoic acid, 97950-17-9, Isotretinoin, (2Z,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoic acid, [3H]Retinoic acid, Renova (TN), Avita (TN), ISOTRETINOIN IMPURITY A (EP IMPURITY), ISOTRETINOIN IMPURITY A [EP IMPURITY], SR-01000000239, retinoicacid, Tretinoin (JAN/USP/INN), Tretinion, TNP00194, Tretinoin Cream, BML2-E05, 1cbr, [3H]tretinoin, [All-E]-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenoic acid, (2E,4E,6E,8E)-3,7-Dimethyl-9-(2,6,6-trimethyl-cyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoic acid, CAS-302-79-4, Tretinoin, (2E,4E,6E,8E)-3,7-Dimethyl-9-(2,6,6-trimethylcyclohex-1-enyl)nona-2,4,6,8-tetraenoic acid, Retinoic acid, Isotretinoin Impurity A, Prestwick_424, all-(E)-Retinoate, Tretinoine (French), Retinoic acid, cis-, [3H]Vitamin A acid, RETIN-A-MICRO, RETINOL_met006, 1n4h, CPD000058245, Retinoic acid all trans, TRETINOIN [INN], TRETINOIN [JAN], TRETINOIN [HSDB], TRETINOIN [USAN], Vitamin-A-sA currencyure, Opera_ID_1055, Prestwick2_000257, Prestwick3_000257, Spectrum5_001746, Spectrum5_001933, Retinoic acid (Standard), TRETINOIN [VANDF], acide retinoique (French), Vesanoid (TN) (Roche), bmse000562, UPCMLD-DP097, R 2625, RETINOIC ACID [MI], SCHEMBL3145, TRETINOIN [WHO-DD], 3,7-Dimethyl-9-(2,6,6-trimethylcyclohex-1-enyl)nona-2,4,6,8-all-trans-tetraenoic acid, BIDD:PXR0081, Lopac0_001061, BSPBio_000074, BSPBio_001500, MLS001076515, MLS002207234, MLS002222211, MLS002548861, MLS006010222, BIDD:GT0483, SPECTRUM1502016, 9-cis-retinoic acid (9cRA), Tretinoin - Bio-X trade mark, LGD 1057, NSC 659772, Panretin, Panretyn, Panrexin, Toctino, [3H]RA, BPBio1_000082, cid_444795, GTPL2644, .beta.-all-trans-Retinoic acid, TRETINOIN [ORANGE BOOK], all-trans-retinoic acid (ATRA), SCHEMBL19091395, BDBM31883, HMS502N05, all-trans-Retinoic acid/Tretinoin, D10AD01, L01XX14, BCPP000036, BDBM323588, HMS1361K22, HMS1568D16, HMS1791K22, HMS1921D14, HMS1989K22, HMS2089D20, HMS2092N11, HMS2095D16, HMS2236N03, HMS3259E11, HMS3263E04, HMS3402K22, HMS3411B09, HMS3675B09, HMS3712D16, Pharmakon1600-01502016, Retinoic acid, all-trans- (8CI), BCP01405, TRETINOIN COMPONENT OF ZIANA, US10188615, at-RA, Tox21_110812, Tox21_202330, Tox21_300305, Tox21_501061, TRETINOIN COMPONENT OF SOLAGE, TRETINOIN COMPONENT OF TWYNEO, TRETINOIN COMPONENT OF VELTIN, All-trans Retinoic Acid (Tretinoin), CCG-39912, HY-14649G, HY-14649R, LMPR01090019, NSC759631, s1653, AKOS000280845, Tox21_110812_1, AC-6824, CS-1269, DB00755, FR17921, GS-3578, LP01061, NC00481, NSC-759631, SDCCGSBI-0051031.P004, TRETINOIN COMPONENT OF TRI-LUMA, 3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenoic acid, IDI1_000903, IDI1_033970, NCGC00017280-05, NCGC00017280-06, NCGC00017280-07, NCGC00017280-08, NCGC00017280-09, NCGC00017280-12, NCGC00017280-15, NCGC00017280-16, NCGC00017280-17, NCGC00017280-18, NCGC00017280-19, NCGC00017280-20, NCGC00017280-23, NCGC00017280-38, NCGC00021808-04, NCGC00021808-05, NCGC00021808-06, NCGC00021808-07, NCGC00021808-09, NCGC00021808-11, NCGC00021808-14, NCGC00021808-15, NCGC00254179-01, NCGC00259879-01, NCGC00261746-01, BP-20401, BR164493, HY-14649, Retinoic acid, >=98% (HPLC), powder, SBI-0051031.P003, CS-0626116, EU-0101061, R0064, SW203749-4, C00777, D00094, Q29417, AB00052318-15, AB00052318-16, AB00052318-17, AB00052318_18, AB00052318_19, EN300-27107561, L000833, SR-01000000239-3, SR-01000000239-4, SR-01000000239-6, SR-01000000239-7, BRD-K06926592-001-01-7, BRD-K71879491-001-15-0, BRD-K71879491-001-22-6, BRD-K71879491-001-37-4, BRD-K71879491-001-38-2, BRD-K71879491-001-39-0, BRD-K71879491-001-44-0, BRD-K71879491-001-47-3, BRD-K71879491-001-48-1, SR-01000000239-12, SR-01000000239-13, SR-01000000239-14, SR-01000000239-15, WLN: L6UTJ A1 B1U1Y1&U2U1Y1&U1VQ C1 C1, Tretinoin, European Pharmacopoeia (EP) Reference Standard, WLN: L6UTJ A1 B1U1Y1 & U2U1Y1 & U1VQ C1 C1, Tretinoin, United States Pharmacopeia (USP) Reference Standard, 3,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenoic acid, Tretinoin, Pharmaceutical Secondary Standard, Certified Reference Material, (8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenoic acid, (all-E)-3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenoate, 2,4,6,8-Nonatetranoic acid, 3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, 2,6,8-Nonatetranoic acid, 3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, 3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenoate, all-trans-3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenoic Acid, (all-E)-3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenoic acid, all-trans-Retinoic acid, ATRA, (all-E)-3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenoic acid, Tretinoin, ATRA, 2,4, 6,8-Nonatetranoic acid, 3,7-dimethyl-9-(2,6, 6-trimethyl-1-cyclohexen-1-yl)-, (2E, 4E, 6E, 8E)-, 2,4,6,8-Nonatetraenoic acid, 3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)--, (all trans)-, 2,4,6,8-Nonatetranoic acid, 3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (all trans)-, 2,6,8-Nonatetraenoic acid, 3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (all-E)-, 206-129-0, 3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenoic acid-, (all trans)- |
|---|---|
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 567.0 |
| Database Name | cmaup_ingredients;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P00352, O94788, Q02928, Q9BY64, P06133, P22310, P36537, P16662, P54855, Q9Y4X1, P22309, O60656, Q9HAW9, P35503, Q9HAW8, O75795, P19224, P35504, O75310, Q9HAW7, P08684, P11712, P33261, P05181, Q9HB55, Q16678, P33260, P24903, Q8N118, P20813, P20815, Q16696, P24462, P13584, Q86W10, P05177, P11511, P10632, Q96SQ9, P51589, P20853, P11509, P13631, P49788, P10276, P10826, P28702, P48443, P29762, P19793, P29373, Q5TCH4, Q6UWM9, A0N0X8, Q5DT02, Q5DSZ6, Q5DSZ7, Q6NWU0, Q9Y618, n.a., P40220, P00860, P62965, P22935, P11416, P28700, P09057, P22605, P18911, P28705, P28704, P15917, Q03164, P46063, B2RXH2, Q16637, P02791, P25779, P10636, Q16665, Q962Y6, Q9F4F7, Q194T2, P54132, P51450, O75496, Q16236, Q92830, Q99549, O89049, Q96KQ7, O15648, P83916, Q9UIF8, P11473, P03372, P10828, P10275, Q03181, P49798, Q9UBT6, P37231, Q96RI1, O94782, P0DMS8, P28482, P41595, P25094, P08659, P10635, Q9R1A7, O42275, P81908, P02769, Q8R0V5, P28776, Q9NUW8, Q92753, P51449, O42713, P35398, O95342, Q92887, O15438, O15439, Q13526, Q16762, Q7BGE6, P61604, P0A6F5, P0DTD1, P37840, P05067, P04792 |
| Iupac Name | (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoic acid |
| Prediction Hob | 1.0 |
| Class | Prenol lipids |
| Target Id | NPT3201, NPT1159, NPT5980, NPT546, NPT5983, NPT5981, NPT47, NPT48, NPT93, NPT51, NPT211, NPT94, NPT58, NPT109, NPT10, NPT218, NPT282, NPT291, NPT598, NPT103, NPT599, NPT713, NPT755, NPT920, NPT78 |
| Xlogp | 6.3 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Retinoids |
| Molecular Formula | C20H28O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SHGAZHPCJJPHSC-YCNIQYBTSA-N |
| Fcsp3 | 0.45 |
| Logs | -4.546 |
| Rotatable Bond Count | 5.0 |
| State | Solid |
| Logd | 3.865 |
| Synonyms | (all-e)-3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenoic acid, 3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexene-1-yl)-2,4,6,8-nonatetraenoic acid (ecl), AGN 100335, all-(e)-Retinoic acid, all-trans-beta-Retinoic acid, all-trans-Tretinoin, all-trans-Vitamin a acid, all-trans-Vitamin a1 acid, beta-Retinoic acid, Eudyna, Renova, Retin-a, Retinoic acid, Retisol-a, Ro 1-5488, Solage, Stieva-a, trans-Retinoic acid, Tretin m, Tretinoin, Vesanoid, Vitamin a acid, Vitinoin, all-trans-Retinoate, Avita, Retin a, (all-e)-3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenoate, 3,7-Dimethyl-9-(2,6,6-trimethyl-1-cyclohexene-1-yl)-2,4,6,8-nonatetraenoate (ecl), all-(e)-Retinoate, all-trans-b-Retinoate, all-trans-b-Retinoic acid, all-trans-beta-Retinoate, all-trans-Β-retinoate, all-trans-Β-retinoic acid, b-Retinoate, b-Retinoic acid, beta-Retinoate, Β-retinoate, Β-retinoic acid, Retinoate, trans-Retinoate, (2E,4E,6E,8E)-3,7-Dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoate, Tretinoin zinc salt, trans Retinoic acid, Acid, all-trans-retinoic, Salt, tretinoin sodium, beta all trans Retinoic acid, beta-all-trans-Retinoic acid, Acid, vitamin a, Potassium salt, tretinoin, Sodium salt, tretinoin, Acid, beta-all-trans-retinoic, Tretinoin potassium salt, Zinc salt, tretinoin, Acid, retinoic, Acid, trans-retinoic, Salt, tretinoin potassium, Salt, tretinoin zinc, Tretinoin sodium salt, all trans Retinoic acid, Retin-a micro, Atralin, Tretin-X, all-trans-Retinoic acid |
| Compound Name | Tretinoin |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 300.209 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 300.209 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 300.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 4.0 |
| Molecular Framework | Aliphatic homomonocyclic compounds |
| Esol | -5.3417404 |
| Inchi | InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14+ |
| Smiles | CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 4.0 |
| Taxonomy Direct Parent | Retinoids |
- 1. Outgoing r'ship
FOUND_INto/from Genipa Americana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Panax Notoginseng (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all