coreanine B

AlkaPlorer ID: AK010509

Synonym: None

IUPAC Name: None

Structure

SMILES: CC(CC)C(O[C@H]1C[C@]2(C)C([C@@H]3C[C@]4(C5)C6[C@H](O)[C@H](C(O)[C@@]4(O)C7[N@]3C2)C5=C)[C@@]67C1)=O

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InChI: InChI=1S/C25H35NO5/c1-5-11(2)20(29)31-13-7-22(4)10-26-14-9-23-6-12(3)15-16(27)18(23)24(8-13,17(14)22)21(26)25(23,30)19(15)28/h11,13-19,21,27-28,30H,3,5-10H2,1-2,4H3/t11?,13-,14-,15+,16+,17?,18?,19?,21?,22-,23+,24-,25+/m0/s1

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InChIKey: GLCVXVGGONPIQN-OUNGALTPSA-N

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Source

Properties Information

Molecule Weight: 429.55700000000024

TPSA: 90.22999999999999

MolLogP: 1.4758999999999998

Number of H-Donors: 3

Number of H-Acceptors: 6

RingCount: 9

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information