CHEBI:123625 - 8-[1-(1,3-benzodioxol-5-yl)-3-(1-piperidinyl)propyl]-5,7-dimethoxy-4-pentyl-1-benzopyran-2-one

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ChEBI Name 8-[1-(1,3-benzodioxol-5-yl)-3-(1-piperidinyl)propyl]-5,7-dimethoxy-4-pentyl-1-benzopyran-2-one
ChEBI ID CHEBI:123625
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C31H39NO6
Net Charge 0
Average Mass 521.646
Monoisotopic Mass 521.27774
InChI InChI=1S/C31H39NO6/c1-4-5-7-10-22-18-28(33)38-31-29(22)26(34-2)19-27(35-3)30(31)23(13-16-32-14-8-6-9-15-32)21-11-12-24-25(17-21)37-20-36-24/h11-12,17-19,23H,4-10,13-16,20H2,1-3H3
InChIKey QVXVWLQXQKIEKW-UHFFFAOYSA-N
SMILES CCCCCC1=CC(=O)OC2=C1C(=CC(=C2C(CCN3CCCCC3)C4=CC5=C(C=C4)OCO5)OC)OC
ChEBI Ontology
Outgoing 8-[1-(1,3-benzodioxol-5-yl)-3-(1-piperidinyl)propyl]-5,7-dimethoxy-4-pentyl-1-benzopyran-2-one (CHEBI:123625) is a coumarins (CHEBI:23403)
Manual Xref Database
LSM-35067 LINCS
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