25-Hydroxy-24-oxokibdelone C

AlkaPlorer ID: AK301717

Synonym: None

IUPAC Name: 3,7,10,19,21,22,26-heptahydroxy-15-methoxy-6-methyl-7-propyl-17-oxa-6-azahexacyclo[12.12.0.02,11.04,9.016,25.018,23]hexacosa-1(14),2(11),3,9,15,18(23),25-heptaene-5,8,24-trione

Structure

SMILES: CCCC1(O)C(=O)C2=C(O)C3=C(C(O)=C2C(=O)N1C)C1=C(O)C2=C(OC4=C(C2=O)C(O)C(O)CC4O)C(OC)=C1CC3

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InChI: InChI=1S/C29H29NO12/c1-4-7-29(40)27(38)15-16(28(39)30(29)2)21(35)13-9(19(15)33)5-6-10-14(13)22(36)18-23(37)17-20(34)11(31)8-12(32)25(17)42-26(18)24(10)41-3/h11-12,20,31-36,40H,4-8H2,1-3H3

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InChIKey: KQKRFRISGXLIIT-UHFFFAOYSA-N

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Reference

PubChem CID: 162844181

COCONUT: CNP0104995.1

Properties Information

Molecule Weight: 583.546

TPSA: 218.42999999999995

MolLogP: 1.2723999999999995

Number of H-Donors: 7

Number of H-Acceptors: 12

RingCount: 6

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information