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Hypericin

  • Formula: C30H16O8

  • Molecular weight: 504.40

  • Smiles: CC1=CC(=O)C2=C(C3=C(C=C(C4=C3C5=C2C1=C6C(=CC(=O)C7=C(C8=C(C=C(C4=C8C5=C67)O)O)O)C)O)O)O

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Hypericin

Names
Structural Information
Physico-chemical Properties
ADME
Toxicity
Medical Chemistry
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Names

  • Mycotoxin name: Hypericin

  • First synonym: Hypericin

  • Synonyms: hypericin,548-04-9,Hypericum red,hipericina,hypericine,Hyperizin,Hypericin (SGX301),Cyclosan,Mycoporphyrin,1,3,4,6,8,13-Hexahydroxy-10,11-dimethylphenanthro[1,10,9,8-opqra]perylene-7,14-dione,Cyclo-Werol,Hypericum Extract,VIMRxyn,UNII-7V2F1075HD,NSC407313,Hypericin & Visible light,7V2F1075HD,MFCD00016683,NSC622946,Cyclo werrol,5,7,11,18,22,24-hexahydroxy-13,16-dimethyloctacyclo[13.11.1.12,10.03,8.04,25.019,27.021,26.014,28]octacosa-1(27),2(28),3,5,7,10,12,14,16,18,21,23,25-tridecaene-9,20-dione,4,5,7,4',5',7'-Hexahydroxy-2,2'-dimethylnaphthodianthrone,1,3,4,6,8,13-Hexahydroxy-10,11-dimethylphenanthro(1,10,9,8-opqra)perylene-7,14-dione,hexahydroxy(dimethyl)[?]dione,1:6:8:10:11:13-hexahydroxy-3:4-dimethyl-meso-naphthodianthrene-7:14-dione,Phenanthro[1,10,9,8-opqra]perylene-7,14-dione, 1,3,4,6,8,13-hexahydroxy-10,11-dimethyl-,C30H16O8,EINECS 208-941-0,NSC 407313,NSC 622946,CCRIS 8166,(component of) Hypericum spp (st. John's wort),BiomolKI_000032,4,5,7,4',5',7'-Hexahydroxy-2,2'-dimethyl-mesonapthtodianthron,BiomolKI2_000040,SCHEMBL3182,BIDD:PXR0084,BMK1-D8,SCHEMBL10262695,DTXSID40203270,Hypericin - CAS 548-04-9,Hypericin from Hypericum perforatum,HY-N0453,ZINC3780340,BDBM50060874,CCG-36081,HSCI1_000202,LMPK13040001,AKOS015895658,AC-6048,CS-5687,EBD2048972,MCULE-7319800130,NSC-622946,NCGC00162454-01,NCGC00163378-01,NCGC00163378-02,AS-74733,NCI60_003879,NCI60_006799,NCGC00163378-03!,FT-0627169,N2739,C07606,M01850,33919-EP2275420A1,33919-EP2295055A2,33919-EP2295416A2,33919-EP2298748A2,33919-EP2298764A1,33919-EP2298765A1,33919-EP2305642A2,33919-EP2311453A1,548H049,A870351,SR-05000002344,Hypericin from Hypericum perforatum, ~95% (HPLC),Hypericin, primary pharmaceutical reference standard,Q-100618,SR-05000002344-2,BRD-K29673530-001-03-9,Hypericin Hypericum perforatum; Hypericin; St. John'S Wort Extract,3,4,6,7,13,14-Hexahydroxy-10,11-dimethylphenanthro[1,10,9,8-opqra]perylene-1,8-dione,3,4,7,8,13,14-Hexahydroxy-10,11-dimethylphenanthro[1,10,9,8-opqra]perylene-1,6-dione,1,3,4,6,8,13-Hexahydroxy-10,11-dimethylphenanthro[1,10,9,8-opqra]perylene-7,14-dione, 9CI,1,4,6,8,13-Hexahydroxy-10,11-dimethylphenanthro [1,10,9,8-opqra]perylene-7,14-dione P-conformer,5,7,11,18,22,24-HEXAHYDROXY-13,16-DIMETHYLOCTACYCLO[13.11.1.1(2),(1)?.0(3),?.0?,(2)?.0(1)?,(2)?.0(2)(1),(2)?.0(1)?,(2)?]OCTACOSA-1,3,5,7,10,12,14(28),15(27),16,18,21,23,25-TRIDECAENE-9,20-DIONE,Phenanthro[1,10,9,8-opqra]perylene-7,14-dione,1,3,4,6,8,13-hexahydroxy-10,11-dimethyl-, stereoisomer,Phenanthro[1,9,8-opqra]perylene-7,14-dione,1,3,4,6,8,13-hexahydroxy-10,11-dimethyl-, stereoisomer

Identifiers / External links

Structure

  • Smiles: CC1=CC(=O)C2=C(C3=C(C=C(C4=C3C5=C2C1=C6C(=CC(=O)C7=C(C8=C(C=C(C4=C8C5=C67)O)O)O)C)O)O)O

  • Isomeric smiles: CC1=CC(=O)C2=C(C3=C(C=C(C4=C3C5=C2C1=C6C(=CC(=O)C7=C(C8=C(C=C(C4=C8C5=C67)O)O)O)C)O)O)O

  • Inchi: InChI=1S/C30H16O8/c1-7-3-9(31)19-23-15(7)16-8(2)4-10(32)20-24(16)28-26-18(12(34)6-14(36)22(26)30(20)38)17-11(33)5-13(35)21(29(19)37)25(17)27(23)28/h3-6,33-38H,1-2H3

  • Inchikey: YDOIFHVUBCIUHF-UHFFFAOYSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C30H16O8

  • Molecular weight: 504.40

  • Monoisotopic mass: 504.08451746

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