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Plastoquinone

PubChem CID: 5375177

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Compound Synonyms Plastoquinone A, Plastoquinone, Plastoquinone-9, 4299-57-4, Plastoquinone 45, PLASTOQUINONE 9, Kofler's quinone, Koflerquinone 45, Koflers quinone, UNII-OAC30J69CN, OAC30J69CN, PLASTOQUINONE 9 [MI], Phastoquinone 9, PQ-9, 2,3-dimethyl-5-[(2E,6E,10E,14E,18E,22E,26E,30E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaenyl]cyclohexa-2,5-diene-1,4-dione, 2,5-Cyclohexadiene-1,4-dione, 2,3-dimethyl-5-(3,7,11,15,19,23,27,31,35-nonamethyl-2,6,10,14,18,22,26,30,34-hexatriacontanonaenyl)-, (all-E)-, Q 254, CHEBI:28377, 2,3-dimethyl-5-(solanesyl)-1,4-benzoquinone, DTXSID40893791, Q-254, Koflerquinone, (all-E)-2,3-dimethyl-5-(3,7,11,15,19,23,27,31,35-nonamethyl-2,6,10,14,18,22,26,30,34-hexatricontanonaenyl)-2,5-cyclohexadiene-1-4-dione, 2,3-dimethyl-5-[(2E,6E,10E,14E,18E,22E,26E,30E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaen-1-yl]cyclohexa-2,5-diene-1,4-dione, PQA, (Plastoquinone), 2,3-Dimethyl-5-((2E,6E,10E,14E,18E,22E,26E,30E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaen-1-yl)cyclohexa-2,5-diene-1,4-dione, 2,5-CYCLOHEXADIENE-1,4-DIONE, 2,3-DIMETHYL-5-((2E,6E,10E,14E,18E,22E,26E,30E)-3,7,11,15,19,23,27,31,35-NONAMETHYL-2,6,10,14,18,22,26,30,34-HEXATRIACONTANONAEN-1-YL)-, 2,5-Cyclohexadiene-1,4-Dione, 2,3-dimethyl-5-(3,7,11,15,19,23,27,31,35-nonamethyl-2,6,10,14,18,22,26,30,34-hexatriacontanonaenyl)-, p-Benzoquinone, 2,3-dimethyl-5-(3,7,11,15,19,23,27,31,35-nonamethyl-2,6,10,14,18,22,26,30,34-hexatriacontanonaenyl)-, (all E)-, 2,3-dimethyl-5-((2E,6E,10E,14E,18E,22E,26E,30E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaenyl)cyclohexa-2,5-diene-1,4-dione, SCHEMBL323746, DTXCID501323836, 2,3-dimethyl-5-((2Z,6E,10E,14E,18E,22E,26E,30E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaenyl)cyclohexa-2,5-diene-1,4-dione, 2,3-dimethyl-5-(3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaenyl)cyclohexa-2,5-diene-1,4-dione, 2,3-dimethyl-5-[(2Z,6E,10E,14E,18E,22E,26E,30E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaenyl]cyclohexa-2,5-diene-1,4-dione, AKOS040753577, Q31887279, 2,3-Dimethyl-5-[(2E,6E,10E,14E,18E,22E,26E,30E)-3,7,11,15,19,23,27,31,35-nonamethyl-2,6,10,14,18,22,26,30,34-hexatriacontanonaenyl]benzo-1,4-quinone #
Ghose Rule False
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 34.1
Hydrogen Bond Donor Count 0.0
Pfizer 3 75 Rule False
Scaffold Graph Level CC1CCC(C)CC1
Np Classifier Class Prenyl quinone meroterpenoids
Deep Smiles C/C=CCC/C=C/CC/C=C/CC/C=C/CC=CC=O)C=CC6=O))C))C)))))))/C)))))/C)))))/C)))))/CC/C=C/CC/C=C/CC/C=C/CC/C=C/CCC=CC)C)))))C)))))C)))))C)))))C
Heavy Atom Count 55.0
Classyfire Class Prenol lipids
Scaffold Graph Node Level OC1CCC(O)CC1
Classyfire Subclass Quinone and hydroquinone lipids
Isotope Atom Count 0.0
Molecular Complexity 1590.0
Database Name imppat_phytochem;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name 2,3-dimethyl-5-[(2E,6E,10E,14E,18E,22E,26E,30E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaenyl]cyclohexa-2,5-diene-1,4-dione
Veber Rule False
Classyfire Superclass Lipids and lipid-like molecules
Xlogp 18.2
Gsk 4 400 Rule False
Molecular Formula C53H80O2
Scaffold Graph Node Bond Level O=C1C=CC(=O)C=C1
Inchi Key FKUYMLZIRPABFK-IQSNHBBHSA-N
Silicos It Class Soluble
Rotatable Bond Count 26.0
Synonyms plastoquinone, plastoquinone a, plastoquinone-9
Esol Class Soluble
Functional Groups C/C=C(/C)C, CC1=CC(=O)C(C)=C(C)C1=O, CC=C(C)C
Compound Name Plastoquinone
Exact Mass 748.616
Formal Charge 0.0
Monoisotopic Mass 748.616
Hydrogen Bond Acceptor Count 2.0
Molecular Weight 749.2
Gi Absorption False
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 8.0
Lipinski Rule Of 5 False
Inchi InChI=1S/C53H80O2/c1-40(2)21-13-22-41(3)23-14-24-42(4)25-15-26-43(5)27-16-28-44(6)29-17-30-45(7)31-18-32-46(8)33-19-34-47(9)35-20-36-48(10)37-38-51-39-52(54)49(11)50(12)53(51)55/h21,23,25,27,29,31,33,35,37,39H,13-20,22,24,26,28,30,32,34,36,38H2,1-12H3/b41-23+,42-25+,43-27+,44-29+,45-31+,46-33+,47-35+,48-37+
Smiles CC1=C(C(=O)C(=CC1=O)C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)C
Np Classifier Biosynthetic Pathway Terpenoids
Defined Bond Stereocenter Count 8.0
Egan Rule False
Np Classifier Superclass Meroterpenoids

  • 1. Outgoing r'ship FOUND_IN to/from Armoracia Rusticana (Plant) Rel Props:Reference:https://www.ncbi.nlm.nih.gov/pubmed/15740020
  • 2. Outgoing r'ship FOUND_IN to/from Nicotiana Tabacum (Plant) Rel Props:Reference:ISBN:9788172361150
  • 3. Outgoing r'ship FOUND_IN to/from Pimpinella Anisum (Plant) Rel Props:Reference:ISBN:9780896038776
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