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name Structure Reference Source Properties Activities Metabolism

[(1S,2R,3R,4S,5R,6S,8R,9S,10S,13S,16S,17R,18S)-11-ethyl-9,16-dihydroxy-4,6,8,18-tetramethoxy-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-13-yl]methyl 2-aminobenzoate

AlkaPlorer ID: AK045901

Synonym: None

IUPAC Name: [(1S,2R,3R,4S,5R,6S,8R,9S,10S,13S,16S,17R,18S)-11-ethyl-9,16-dihydroxy-4,6,8,18-tetramethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl]methyl 2-aminobenzoate

Structure

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

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InChI: InChI=1S/C32H46N2O8/c1-6-34-15-29(16-42-27(36)17-9-7-8-10-20(17)33)12-11-22(35)31-19-13-18-21(38-2)14-30(41-5,23(19)24(18)39-3)32(37,28(31)34)26(40-4)25(29)31/h7-10,18-19,21-26,28,35,37H,6,11-16,33H2,1-5H3/t18-,19-,21+,22+,23-,24+,25-,26+,28+,29+,30-,31+,32-/m1/s1

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InChIKey: OBUKQHHVZPXAPY-IUQDZDMUSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Aconitum leucostomum Aconitum Ranunculaceae Ranunculales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 586.7260000000003

TPSA？: 132.94000000000003

MolLogP？: 1.7179000000000029

Number of H-Donors: 3

Number of H-Acceptors: 10

RingCount: 7

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information