BIAdb BRN 5322099 1616

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{{Drugbox | IUPAC_name =1,2,3-trimethoxy-10-methylsulfanyl-7-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]-6,7-dihydro-5H-benzo[g]heptalen-9-one | PubChem = 47956 | DrugBank = | ChemSpiderID = | chemical_formula =C₂₆H₃₃NO₉S | molecular_weight = 535.60652 | smiles = COC1=C(C(=C2C(=C1)CCC(C3=CC(=O)C(=CC=C32)SC)NC4C(C(C(C(O4)CO)O)O)O)OC)OC | synonyms = | density = | melting_point = | boiling_point = | solubility = | bioavailability = | protein_bound = | metabolism = | elimination_half-life = }}

[edit] Description

[edit] Source

N/A

[edit] Function

Unknown

[edit] General Properties

*Molecular Weight

535.60652

*Exact Mass

535.187602

*Molecular Formula

C₂₆H₃₃NO₉S

*IUPAC NAME

1,2,3-trimethoxy-10-methylsulfanyl-7-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]-6,7-dihydro-5H-benzo[g]heptalen-9-one

*Canonical Smiles

COC1=C(C(=C2C(=C1)CCC(C3=CC(=O)C(=CC=C32)SC)NC4C(C(C(C(O4)CO)O)O)O)OC)OC

*Isomeric Smiles

N/A

*XLogP

-0.2

*Hydrogen bond donor

5

*Hydrogen bond acceptor

10

*Rotational Bond Count

7

*Topological Polar Surface Area

147

[edit] External Links

• Pubchem

Link to BIAdb Database