Neuro 000455

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Current revision

Neuro 000455
Systematic (IUPAC) name
7-hydroxy-1,2,3-trimethoxy-10-methylsulfanyl-6,7-dihydro-5H-benzo[g]heptalen-9-one
Identifiers
CAS number	?
ATC code	?
PubChem	633058
Chemical data
Formula	C₂₀H₂₂O₅S
Mol. mass	374.45068
SMILES	eMolecules & PubChem
Pharmacokinetic data
Bioavailability	?
Metabolism	?
Half life	?
Excretion	?
Therapeutic considerations
Pregnancy cat.	?
Legal status
Routes	?

*Molecular Weight

374.45068

*Molecular Formula

C₂₀H₂₂O₅S

*IUPAC NAME

7-hydroxy-1,2,3-trimethoxy-10-methylsulfanyl-6,7-dihydro-5H-benzo[g]heptalen-9-one

*Canonical Smiles

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

*Isomeric Smiles

N/A

*XLogP

1.7

*Topological Polar Surface Area

65

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	[http://crdd.osdd.net/raghava/biadb/detail.php?id=1977 Link to BIAdb Database]		[http://crdd.osdd.net/raghava/biadb/detail.php?id=1977 Link to BIAdb Database]
-	[[Category:~~BIAdb~~]]	+	[[Category:BIAdb_old]]