Grandisine C

AlkaPlorer ID: AK071510

Synonym: 'grandisine C', '(-)-Grandisine C'

IUPAC Name: (6aR,9R,11R,12aR,12bR)-9-hydroxy-11-methyl-1,2,3,5,6,6a,8,9,10,11,12a,12b-dodecahydrochromeno[2,3-g]indolizin-12-one

Structure

SMILES: C[C@@H]1C[C@@H](O)CC2=C1C(=O)[C@@H]1[C@H]3CCCN3CC[C@H]1O2

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InChI: InChI=1S/C16H23NO3/c1-9-7-10(18)8-13-14(9)16(19)15-11-3-2-5-17(11)6-4-12(15)20-13/h9-12,15,18H,2-8H2,1H3/t9-,10-,11-,12-,15-/m1/s1

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InChIKey: WNDBXOYUMYCREE-ACVJOUTJSA-N

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Properties Information

Molecule Weight: 277.364

TPSA: 49.77

MolLogP: 1.4834999999999998

Number of H-Donors: 1

Number of H-Acceptors: 4

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information