coreanine C

AlkaPlorer ID: AK010510

Synonym: None

IUPAC Name: None

Structure

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

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InChI: InChI=1S/C26H35NO6/c1-11(2)21(30)33-14-7-23(5)10-27-15-9-24-6-12(3)16-17(32-13(4)28)19(24)25(8-14,18(15)23)22(27)26(24,31)20(16)29/h11,14-20,22,29,31H,3,6-10H2,1-2,4-5H3/t14-,15-,16+,17+,18?,19?,20?,22?,23-,24+,25-,26+/m0/s1

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InChIKey: HJJVSZYNNXRKHX-YSRXPYKZSA-N

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Source

Properties Information

Molecule Weight: 457.56700000000023

TPSA: 96.30000000000001

MolLogP: 1.6565999999999999

Number of H-Donors: 2

Number of H-Acceptors: 7

RingCount: 9

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information