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- ChemComp-FLV: FLAVIOLIN -

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Basic information

EntryDatabase: PDB chemical components / ID: FLV
NameName: flaviolin / Synonyms: 2,5,7-TRIHYDROXYNAPHTHOQUINONE

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Chemical information

Composition
Formula: C10H6O5 / Number of atoms: 21 / Formula weight: 206.152 / Formal charge: 0
Others

1t93

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: FLV / Model coordinates PDB-ID: 1T93
History
Create componentJun 14, 2004
Modify descriptorJun 4, 2011
Modify synonymsJun 5, 2020
External linksUniChem / ChemSpider / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

ACDLabs 10.04O=C2c1c(O)cc(O)cc1C(=O)C(O)=C2
CACTVS 3.341Oc1cc(O)c2C(=O)C=C(O)C(=O)c2c1
OpenEye OEToolkits 1.5.0c1c(cc(c2c1C(=O)C(=CC2=O)O)O)O

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SMILES CANONICAL

CACTVS 3.341Oc1cc(O)c2C(=O)C=C(O)C(=O)c2c1
OpenEye OEToolkits 1.5.0c1c(cc(c2c1C(=O)C(=CC2=O)O)O)O

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InChI

InChI 1.03InChI=1S/C10H6O5/c11-4-1-5-9(6(12)2-4)7(13)3-8(14)10(5)15/h1-3,11-12,14H

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InChIKey

InChI 1.03RROPNRTUMVVUED-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.042,5,7-trihydroxynaphthalene-1,4-dione
OpenEye OEToolkits 1.5.02,5,7-trihydroxynaphthalene-1,4-dione

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PDB entries

Showing all 4 items

PDB-1t93:
Evidence for Multiple Substrate Recognition and Molecular Mechanism of C-C reaction by Cytochrome P450 CYP158A2 from Streptomyces Coelicolor A3(2)

PDB-1zdw:
Co-crystal structure of Orf2 an aromatic prenyl transferase from Streptomyces sp. strain CL190 complexed with GSPP and Flaviolin

PDB-2d09:
A Role for Active Site Water Molecules and Hydroxyl Groups of Substrate for Oxygen Activation in Cytochrome P450 158A2

PDB-8qd3:
Ayg1p in complex with 1,3,6,8-Tetrahydroxynaphthalene

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