Cycloleonuripeptide E
AlkaPlorer ID: AK072862
Synonym: '', 'cycloleonuripeptide E'
IUPAC Name: (3S,6S,12S,15S,18S,21S,24S,27S,30S)-15-benzyl-27-[(2R)-butan-2-yl]-12-[(1R)-1-hydroxyethyl]-3,18,21-trimethyl-24-propan-2-yl-1,4,10,13,16,19,22,25,28-nonazatricyclo[28.3.0.06,10]tritriacontane-2,5,11,14,17,20,23,26,29-nonone
Structure
SMILES: CC[C@@H](C)[C@@H]1N=C(O)[C@@H]2CCCN2C(=O)[C@H](C)N=C(O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)O)N=C(O)[C@H](CC2=CC=CC=C2)N=C(O)[C@H](C)N=C(O)[C@H](C)N=C(O)[C@H](C(C)C)N=C1O
InChI: InChI=1S/C43H65N9O10/c1-9-23(4)33-41(60)48-32(22(2)3)40(59)45-24(5)35(54)44-25(6)36(55)47-29(21-28-15-11-10-12-16-28)37(56)50-34(27(8)53)43(62)52-20-14-17-30(52)38(57)46-26(7)42(61)51-19-13-18-31(51)39(58)49-33/h10-12,15-16,22-27,29-34,53H,9,13-14,17-21H2,1-8H3,(H,44,54)(H,45,59)(H,46,57)(H,47,55)(H,48,60)(H,49,58)(H,50,56)/t23-,24+,25+,26+,27-,29+,30+,31+,32+,33+,34+/m1/s1
InChIKey: NPYYAXZHUVOXOW-JDNJWUNXSA-N
Reference
Cycloleonuripeptides E and F, Cyclic Nonapeptides from <i>Leonurus </i><i>h</i><i>eterophyllus</i>
PubChem CID: 154496420
LOTUS: LTS0034961
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Leonurus japonicus | Leonurus | Lamiaceae | Lamiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 868.046
TPSA？: 288.98
MolLogP？: 4.64300000000001
Number of H-Donors: 8
Number of H-Acceptors: 10
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|