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name Structure Reference Source Properties Activities Metabolism

(1r,3as,3bs,7s,9ar,9bs,11as)-9a,11a-dimethyl-1-[(1s)-1-[(2r,5s)-5-methylpiperidin-2-yl]ethyl]-1h,2h,3h,3ah,3bh,4h,6h,7h,8h,9h,9bh,10h,11h-cyclopenta[a]phenanthren-7-ol

AlkaPlorer ID: AK004751

Synonym: '', 'Oblonginine', '(1R,3aS,3bS,7S,9aR,9bS,11aS)-9a,11a-dimethyl-1-(1S)-1-(2R,5S)-5-methylpiperidin-2-ylethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopentaaphenanthren-7-ol', 'Veramiline'

IUPAC Name: (3S,8S,9R,10R,13R,14S,17S)-10,13-dimethyl-17-[(1S)-1-[(2S,5R)-5-methylpiperidin-2-yl]ethyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol

Structure

SMILES: C[C@@H]1CC[C@@H]([C@@H](C)[C@@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@@]23C)NC1

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InChI: InChI=1S/C27H45NO/c1-17-5-10-25(28-16-17)18(2)22-8-9-23-21-7-6-19-15-20(29)11-13-26(19,3)24(21)12-14-27(22,23)4/h6,17-18,20-25,28-29H,5,7-16H2,1-4H3/t17-,18+,20+,21+,22+,23+,24-,25+,26+,27+/m1/s1

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InChIKey: SWTXHUUBYZNDAJ-GQONXDEXSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Veratrum album Veratrum Melanthiaceae Liliales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 399.6630000000002

TPSA？: 32.26

MolLogP？: 5.950500000000006

Number of H-Donors: 2

Number of H-Acceptors: 2

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information