2,5-dihydroxy-3-[7-(3-methylbut-2-en-1-yl)-1H-indol-3-yl]-6-[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]cyclohexa-2,5-diene-1,4-dione

Compound number
MolPort-003-983-552
CAS number
78860-34-1
IUPAC
2,5-dihydroxy-3-[7-(3-methylbut-2-en-1-yl)-1H-indol-3-yl]-6-[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]cyclohexa-2,5-diene-1,4-dione
IUPAC traditional
2,5-dihydroxy-3-[7-(3-methylbut-2-en-1-yl)-1H-indol-3-yl]-6-[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]cyclohexa-2,5-diene-1,4-dione
SMILES
CC(C)=CCc1cccc2c(c[nH]c12)C1=C(O)C(=O)C(c2c([nH]c3ccccc23)C(C)(C)C=C)=C(O)C1=O |c:16,t:37,(18.3,-.96,;18.3,-2.5,;19.84,-2.5,;17.21,-3.59,;15.67,-3.59,;14.58,-4.68,;14.9,-6.19,;13.75,-7.22,;12.29,-6.74,;11.97,-5.24,;10.63,-4.47,;10.95,-2.96,;12.49,-2.8,;13.11,-4.21,;9.3,-5.24,;9.3,-6.78,;10.63,-7.55,;7.97,-7.55,;7.97,-9.09,;6.63,-6.78,;5.3,-7.55,;4.98,-9.05,;3.45,-9.21,;2.82,-7.81,;1.36,-7.33,;1.04,-5.82,;2.18,-4.79,;3.65,-5.27,;3.97,-6.78,;6.07,-10.14,;7.16,-9.05,;7.61,-10.14,;6.07,-11.68,;4.98,-12.77,;6.63,-5.24,;5.3,-4.47,;7.97,-4.47,;7.97,-2.93,)|
InChI key
XMGNJVXBPZAETK-UHFFFAOYSA-N
Molecular formula
Molecular weight
506.602
Solubility
not available

Marketplace Offers

Tocris Bioscience

Direct S&H to USA 60.00 USD Direct S&H to World: 90.00 USD
Catalog
Screening compound
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15 business days
Purity
>98%
Last updated
3 months ago
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Supplier Catalogue Data

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5 mg June 10, 2022 343.14 USD
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Cayman Europe

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Screening compound
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Purity
>=98%
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> 3 months ago
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1 mg June 10, 2022 94.17 USD
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5 mg June 10, 2022 365.07 USD
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TargetMol (made-to-order)

Direct S&H to USA 35.00 USD Direct S&H to World: 35.00 USD
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Screening compound
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7 business days
Purity
n/a
Last updated
this week
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5 mg May 31, 2022 470.00 USD
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More Information

Compound identifiers

Compound number
MolPort-003-983-552
CAS number
78860-34-1

Names, Synonyms and 3rd Party Identifiers

Name
2-[2-(1,1-dimethyl-2-propen-1-yl)-1H-indol-3-yl]-3,6-dihydroxy-5-[7-(3-methyl-2-buten-1-yl)-1H-indol-3-yl]-2,5-cyclohexadiene-1,4-dione
DAQ B1 | L-783,281 | DMAQ-B1 |
Demethylasterriquinone B1

InChI

InChI
1/C32H30N2O4/c1-6-32(4,5)31-23(20-11-7-8-13-22(20)34-31)25-29(37)27(35)24(28(36)30(25)38)21-16-33-26-18(15-14-17(2)3)10-9-12-19(21)26/h6-14,16,33-35,38H,1,15H2,2-5H3
InChI key
XMGNJVXBPZAETK-UHFFFAOYSA-N

Formula

Molecular formula
C32H30N2O4
Molecular weight
506.602

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