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name Structure Reference Source Properties Activities Metabolism

[(1S,2R,3R,4S,5S,8R,9S,10S,13S,16S,17R,18S)-11-ethyl-8,9-dihydroxy-4,16,18-trimethoxy-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-13-yl]methyl 2-[(2R)-4-methoxy-2-methyl-4-oxobutanamido]benzoate

AlkaPlorer ID: AK232040

Synonym: None

IUPAC Name: [(1S,2R,3R,4S,5S,8R,9S,10S,13S,16S,17R,18S)-11-ethyl-8,9-dihydroxy-4,16,18-trimethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl]methyl 2-[[(2R)-4-methoxy-2-methyl-4-oxobutanoyl]amino]benzoate

Structure

SMILES: CCN1C[C@]2(COC(=O)C3=CC=CC=C3N=C(O)[C@H](C)CC(=O)OC)CC[C@H](OC)[C@@]34[C@@H]5C[C@@H]6CC[C@@](O)([C@H]5[C@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14

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InChI: InChI=1S/C37H52N2O10/c1-7-39-18-34(19-49-32(42)22-10-8-9-11-24(22)38-31(41)20(2)16-26(40)46-4)14-13-25(45-3)36-23-17-21-12-15-35(43,27(23)28(21)47-5)37(44,33(36)39)30(48-6)29(34)36/h8-11,20-21,23,25,27-30,33,43-44H,7,12-19H2,1-6H3,(H,38,41)/t20-,21+,23-,25+,27-,28+,29-,30+,33+,34+,35-,36+,37-/m1/s1

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InChIKey: HFUPYKXHLCKZRV-RDTSQMAGSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Delphinium cuneatum Delphinium Ranunculaceae Ranunculales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 684.8270000000006

TPSA？: 156.57999999999998

MolLogP？: 3.2980000000000027

Number of H-Donors: 3

Number of H-Acceptors: 11

RingCount: 7

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information