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Meehanine F

AlkaPlorer ID: AK059432

Synonym: '(-)-Meehanine F', '(-)-Meehanine E', 'Meehanine E'

IUPAC Name: [(2R,3S,4S,5R,6S)-6-[(2S,3R,4R,5R,6S)-2-[4-[(2S,11R)-11-acetyloxy-9-butanoyl-4-oxo-1,5,9-triazacyclotridec-2-yl]phenoxy]-4,5-dihydroxy-6-methyloxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl benzoate

Structure

SMILES: CCCC(=O)N1CCCN=C(O)C[C@@H](C2=CC=C(O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O[C@@H]3O[C@H](COC(=O)C4=CC=CC=C4)[C@@H](O)[C@H](O)[C@H]3O)C=C2)NCC[C@@H](OC(C)=O)C1

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InChI: InChI=1S/C41H57N3O15/c1-4-9-32(47)44-19-8-17-43-31(46)20-29(42-18-16-28(21-44)56-24(3)45)25-12-14-27(15-13-25)57-41-38(36(51)33(48)23(2)55-41)59-40-37(52)35(50)34(49)30(58-40)22-54-39(53)26-10-6-5-7-11-26/h5-7,10-15,23,28-30,33-38,40-42,48-52H,4,8-9,16-22H2,1-3H3,(H,43,46)/t23-,28+,29-,30+,33-,34+,35-,36+,37+,38+,40-,41-/m0/s1

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InChIKey: KKUATRRZGGKSHI-MHGIOTKZSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Meehania urticifolia Meehania Lamiaceae Lamiales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 831.9130000000002

TPSA？: 255.6

MolLogP？: 0.9133000000000044

Number of H-Donors: 7

Number of H-Acceptors: 16

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information