25-Hydroxy-24-oxokibdelone C; 3-Me ether

AlkaPlorer ID: AK301718

Synonym: 25-Methoxy-24-oxokibdelone C

IUPAC Name: 3,10,19,21,22,26-hexahydroxy-7,15-dimethoxy-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(OC)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

copy

InChI: InChI=1S/C30H31NO12/c1-5-8-30(42-4)28(39)16-17(29(40)31(30)2)22(36)14-10(20(16)34)6-7-11-15(14)23(37)19-24(38)18-21(35)12(32)9-13(33)26(18)43-27(19)25(11)41-3/h12-13,21,32-37H,5-9H2,1-4H3

copy

InChIKey: FXNAZVYOHSXVQH-UHFFFAOYSA-N

copy

Reference

PubChem CID: 162965819

COCONUT: CNP0237102.3

Properties Information

Molecule Weight: 597.5730000000001

TPSA: 207.43

MolLogP: 1.9265

Number of H-Donors: 6

Number of H-Acceptors: 12

RingCount: 6

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information