Platyphylline

AlkaPlorer ID: AK011713

Synonym: '', 'Neoplatyphylline', '12-Epiplatyphylline', 'Ligularinine', 'Platyphylline'

IUPAC Name: (1S,4Z,6R,7S,11S,17R)-4-ethylidene-7-hydroxy-6,7-dimethyl-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadecane-3,8-dione

Structure

SMILES: C/C=C1/C[C@@H](C)[C@](C)(O)C(=O)OC[C@H]2CCN3CC[C@H](OC1=O)[C@@H]23

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InChI: InChI=1S/C18H27NO5/c1-4-12-9-11(2)18(3,22)17(21)23-10-13-5-7-19-8-6-14(15(13)19)24-16(12)20/h4,11,13-15,22H,5-10H2,1-3H3/b12-4-/t11-,13-,14+,15-,18+/m1/s1

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InChIKey: BTHCJHQOYFUIMG-JLSUIVKTSA-N

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Reference

PubChem CID: 98178717

SuperNatural Ⅲ: SN0034843-12

NPASS: NPC48506

Properties Information

Molecule Weight: 337.41600000000005

TPSA: 76.07

MolLogP: 1.2727

Number of H-Donors: 1

Number of H-Acceptors: 6

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information