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Substance Name: Kuwanon H
RN: 76472-87-2
InChIKey: DKBPTKFKCCNXNH-QXGWMLRCSA-N

Note

  • A non-peptide bombesin receptor antagonist.

Molecular Formula

  • C45-H44-O11

Molecular Weight

  • 760.8316
 
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Names and Synonyms

Name of Substance

  • Kuwanon H

Systematic Name

  • 4H-1-Benzopyran-4-one, 8-(6-(2,4-dihydroxy-3-(3-methyl-2-butenyl )benzoyl)-5-(2,4-dihydroxyphenyl)-3-methyl-2-cyclohexen-1-yl)-2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-3-(3-methyl-2-butenyl)-, (1S-(1alpha,5alpha,6beta))-

Registry Numbers

CAS Registry Number

  • 76472-87-2

System Generated Number

  • 0076472872

Structure Descriptors

InChI

1S/C45H44O11/c1-21(2)6-10-27-33(48)15-14-29(41(27)53)42(54)38-31(26-12-8-24(46)18-34(26)49)16-23(5)17-32(38)39-36(51)20-37(52)40-43(55)30(11-7-22(3)4)44(56-45(39)40)28-13-9-25(47)19-35(28)50/h6-9,12-15,17-20,31-32,38,46-53H,10-11,16H2,1-5H3/t31-,32-,38-/m0/s1

InChIKey

DKBPTKFKCCNXNH-QXGWMLRCSA-N

Smiles

CC1=C[C@@H]([C@H]([C@@H](C1)c2ccc(cc2O)O)C(=O)c3ccc(c(c3O)CC=C(C)C)O)c4c(cc(c5c4oc(c(c5=O)CC=C(C)C)c6ccc(cc6O)O)O)O