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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-6,8,9-trihydroxy-4,16,18-trimethoxy-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-13-yl]methyl 2-[(3S)-3-methyl-2,5-dioxopyrrolidin-1-yl]benzoate

AlkaPlorer ID: AK137217

Synonym: None

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

Structure

SMILES: CCN1C[C@]2(COC(=O)C3=CC=CC=C3N3C(=O)C[C@H](C)C3=O)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6O)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14

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InChI: InChI=1S/C36H48N2O10/c1-6-37-16-33(17-48-31(42)19-9-7-8-10-22(19)38-25(40)13-18(2)30(38)41)12-11-24(45-3)35-21-14-20-23(39)15-34(43,26(21)27(20)46-4)36(44,32(35)37)29(47-5)28(33)35/h7-10,18,20-21,23-24,26-29,32,39,43-44H,6,11-17H2,1-5H3/t18-,20+,21+,23-,24-,26+,27-,28+,29-,32-,33-,34+,35-,36+/m0/s1

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InChIKey: NJEUIUZXNUEPGH-IPVNYRSLSA-N

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Source

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

Properties Information

Molecule Weight: 668.7840000000004

TPSA？: 155.3

MolLogP？: 1.3810000000000018

Number of H-Donors: 3

Number of H-Acceptors: 11

RingCount: 8

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information