Fenretinide
PubChem CID: 5288209
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| Compound Synonyms | FENRETINIDE, 65646-68-6, N-(4-Hydroxyphenyl)retinamide, 4-HPR, 4-hydroxyphenylretinamide, 4-Hydroxyphenyl retinamide, Retinoic acid p-hydroxyanilide, all-trans-4'-Hydroxyretinanilide, McN-R-1967, Fenretinida, Retinamide, N-(4-hydroxyphenyl)-, Fenretinidum, Fenretinidum [Latin], Rii retinamide, N-(4-Hydroxyphenyl)all-Trans Retinamide, Fenretinide [USAN:INN], Retinoic acid p-hydroxyphenylamide, 4-hydroxy(phenyl)retinamide, 15-[(4-hydroxyphenyl)amino]retinal, CCRIS 3260, 4-(hydroxyphenyl)retinamide, 187EJ7QEXL, MFCD00792674, NSC-760419, BRN 5769490, DTXSID2032005, FENRETINIDE [MI], FENRETINIDE [INN], (2E,4E,6E,8E)-N-(4-hydroxyphenyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraenamide, FENRETINIDE [USAN], FENRETINIDE [VANDF], FENRETINIDE [MART.], CHEMBL7301, FENRETINIDE [WHO-DD], MLS002701698, DTXCID0012005, CHEBI:42588, NSC374551, Fenretinidum (Latin), NSC 760419, NSC-374551, (2E,4E,6E,8E)-N-(4-hydroxyphenyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide, all-trans-n-(4-hydroxyphenyl)retinamide, NCGC00090752-03, Fenretinimide, FENRETINIDE (MART.), N-(4-HYDROXYPHENYL)-ALL-TRANS-VITAMIN A AMIDE, Fenretinida [Spanish], 4HPR, 15-((4-hydroxyphenyl)amino)retinal, SMR001456303, CAS-65646-68-6, SR-01000075917, 4 Hydroxyphenylretinamide, N-(4-Hydroxyphenyl)-trans-Retinamide, UNII-187EJ7QEXL, SYT-101, ST-602, Fenretinide, 4-HPR, p-Hydroxyphenylretinamide, Fenretinide (4-HPR)?, Spectrum5_001939, Fenretinide (USAN/INN), HPR-4, Lopac0_000625, SCHEMBL11703, SCHEMBL11704, BSPBio_001419, MLS001055399, MLS006010811, BML2-E08, N-(4-hydroxyphenyl)-retinamide, SCHEMBL15703189, CHEBI:92493, 15-(4-Hydroxyanilino)retinal #, HMS1361G21, HMS1791G21, HMS1989G21, HMS2089B17, HMS3261N12, HMS3402G21, HMS3412M06, HMS3676M06, Pharmakon1600-01505602, all-trans-N-4'-hydroxyretinanilide, 4-(all-trans-retino-yl)aminophenol, BCP06908, EX-A4102, N-(4-hydroxyphenyl)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenamide, Tox21_111007, Tox21_200989, Tox21_500625, 1-enyl)nona-2,4,6,8-tetraenamide, BDBM50092055, HSCI1_000112, NSC760419, s5233, AKOS024456572, N-(4-Hydroxyphenyl)retinamide, 4-HPR, Tox21_111007_1, CCG-204713, CS-0789, DB05076, FF23268, LP00625, N-(4-hydroxyphenyl)retinamide, 4-HPR, SDCCGSBI-0050606.P002, dimethyl-9-(2,6,6-trimethylcyclohex-, IDI1_033889, Retinoic acid p-hydroxyanilide, >=95%, NCGC00090752-01, NCGC00090752-02, NCGC00090752-04, NCGC00090752-05, NCGC00090752-06, NCGC00090752-07, NCGC00090752-09, NCGC00090752-10, NCGC00090752-11, NCGC00090752-12, NCGC00090752-20, NCGC00258542-01, NCGC00261310-01, (2E,4E,6E,8E)-N-(4-hydroxyphenyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-enyl)nona-2,4,6,8-tetraenamide, AS-59667, BP-13369, HY-15373, SMR000677938, EU-0100625, H1464, NS00069470, D04162, H 7779, (2E,4E,6E,8E)-N-(4-hydroxyphenyl)-3,7-, AB00172992-07, Q5443576, SR-01000075917-1, SR-01000075917-4, BRD-K89085489-001-19-0, BRD-K89085489-001-22-4, BRD-K89085489-001-23-2, (2E,4E,6E,8E)-3,7-Dimethyl-9-(2,6,6-trimethyl-cyclohex-1-enyl)-nona-2,4,6,8-tetraenoic acid (4-hydroxy-phenyl)-amide, (2E,4E,6E,8E)-N-(4-Hydroxyphenyl)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenamide, 2,6,8-Nonatetraenamide, N-(4-hydroxyphenyl)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexen-1-yl-, (all-E)-, 3,7-Dimethyl-9-(2,6,6-trimethyl-cyclohex-1-enyl)-nona-2,4,6,8-tetraenoic acid (4-hydroxy-phenyl)-amide |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 49.3 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC(CCCCCCCCC1CCCCC1)CC1CCCCC1 |
| Np Classifier Class | Cyclophytane diterpenoids |
| Deep Smiles | O=CNcccccc6))O))))))/C=C/C=C/C=C/C=C/C=CC)CCCC6C)C)))))))))C)))))C |
| Heavy Atom Count | 29.0 |
| Classyfire Class | Prenol lipids |
| Scaffold Graph Node Level | OC(CCCCCCCCC1CCCCC1)NC1CCCCC1 |
| Classyfire Subclass | Retinoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 726.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (2E,4E,6E,8E)-N-(4-hydroxyphenyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 7.3 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C26H33NO2 |
| Scaffold Graph Node Bond Level | O=C(C=CC=CC=CC=CC1=CCCCC1)Nc1ccccc1 |
| Inchi Key | AKJHMTWEGVYYSE-FXILSDISSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 6.0 |
| Synonyms | fenretinide |
| Esol Class | Moderately soluble |
| Functional Groups | cNC(=O)/C=C(C)/C=C/C=C(C)/C=C/C(C)=C(C)C, cO |
| Compound Name | Fenretinide |
| Exact Mass | 391.251 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 391.251 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 391.5 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 4.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C26H33NO2/c1-19(11-16-24-21(3)10-7-17-26(24,4)5)8-6-9-20(2)18-25(29)27-22-12-14-23(28)15-13-22/h6,8-9,11-16,18,28H,7,10,17H2,1-5H3,(H,27,29)/b9-6+,16-11+,19-8+,20-18+ |
| Smiles | CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)NC2=CC=C(C=C2)O)/C)/C |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 4.0 |
| Egan Rule | False |
| Np Classifier Superclass | Diterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Aegle Marmelos (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2019.1653796 - 2. Outgoing r'ship
FOUND_INto/from Justicia Adhatoda (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2016.1260061