(2S,3R,4R,5R,6S)-2-methyl-6-(4-{[(1R)-5,6,7-trimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl}phenoxy)oxane-3,4,5-triol

AlkaPlorer ID: AK242033

Synonym: None

IUPAC Name: (2S,3R,4R,5R,6S)-2-methyl-6-[4-[[(1R)-5,6,7-trimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenoxy]oxane-3,4,5-triol

Structure

SMILES: COC1=CC2=C(CCN(C)[C@@H]2CC2=CC=C(O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)C=C2)C(OC)=C1OC

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InChI: InChI=1S/C26H35NO8/c1-14-21(28)22(29)23(30)26(34-14)35-16-8-6-15(7-9-16)12-19-18-13-20(31-3)25(33-5)24(32-4)17(18)10-11-27(19)2/h6-9,13-14,19,21-23,26,28-30H,10-12H2,1-5H3/t14-,19+,21-,22+,23+,26-/m0/s1

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InChIKey: YELKLSIRFNKMFQ-BWNGKWBCSA-N

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Reference

Thalictrum alkaloids—VII

PubChem CID: 162894554

LOTUS: LTS0160266

SuperNatural Ⅲ: SN0448183-01

Source

Properties Information

Molecule Weight: 489.5650000000002

TPSA: 110.08

MolLogP: 1.6903999999999997

Number of H-Donors: 3

Number of H-Acceptors: 9

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information