Echinochrome A
6-ethyl-2,3,5,7,8-pentahydroxynaphthalene-1,4-dione
Molecular Identity
Echinochrome A
6-ethyl-2,3,5,7,8-pentahydroxynaphthalene-1,4-dione
PubChem CID: 135457951
2D Structure
Properties
C12H10O7
Molecular Formula
266.20
Molecular Weight
g/mol
266.0427
Exact Mass
Da
2
XLogP
Drug-like (Lipinski: < 5)
135
TPSA
Good oral absorption (< 140 A²)
5
H-Bond Donors
7
H-Bond Acceptors
455
Complexity
SMILES
Canonical SMILES
SMILES: CCC1=C(C2=C(C(=C1O)O)C(=O)C(=C(C2=O)O)O)OIsomeric SMILES
SMILES: CCC1=C(C2=C(C(=C1O)O)C(=O)C(=C(C2=O)O)O)OSynonyms(20)
Echinochrome A517-82-82,3,5,6,8-Pentahydroxy-7-ethyl-1,4-naphthoquinone6-ethyl-2,3,5,7,8-pentahydroxynaphthalene-1,4-dioneDTXSID60276542DTXSID8010314882-Ethyl-3,5,6,7,8-pentahydroxy-1,4-naphthalenedioneRefChem:920810DTXCID201516507DTXCID5015165062-Ethyl-2,5,6,7,8-pentahydroxy-1,4-naphthoquinone2-Ethyl-3,6,7-trihydroxynaphthazarinEchinochromechinochrome 1J4L83T8MZ5
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Echinochrome A
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