Cyclomontanin A
AlkaPlorer ID: AK092803
Synonym: ''
IUPAC Name: 2-[(3R,6S,9S,12S,15S,21S)-15-[(2S)-butan-2-yl]-3-[(1R)-1-hydroxyethyl]-6-(1H-indol-3-ylmethyl)-9-methyl-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracosan-12-yl]acetamide
Structure
SMILES: CC[C@H](C)[C@@H]1N=C(O)CN=C(O)[C@@H]2CCCN2C(=O)[C@@H]([C@@H](C)O)N=C(O)[C@H](CC2=CNC3=CC=CC=C23)N=C(O)[C@H](C)N=C(O)[C@H](CC(=N)O)N=C1O
InChI: InChI=1S/C35H49N9O9/c1-5-17(2)28-34(52)41-24(14-26(36)46)31(49)39-18(3)30(48)40-23(13-20-15-37-22-10-7-6-9-21(20)22)32(50)43-29(19(4)45)35(53)44-12-8-11-25(44)33(51)38-16-27(47)42-28/h6-7,9-10,15,17-19,23-25,28-29,37,45H,5,8,11-14,16H2,1-4H3,(H2,36,46)(H,38,51)(H,39,49)(H,40,48)(H,41,52)(H,42,47)(H,43,50)/t17-,18-,19+,23-,24-,25-,28-,29+/m0/s1
InChIKey: VDOGORSOVRVIBX-BIYNWZBYSA-N
Reference
Cyclopeptides with Anti-inflammatory Activity from Seeds of <i>Annona montana</i>
PubChem CID: 163040954
LOTUS: LTS0101638
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Annona montana | Annona | Annonaceae | Magnoliales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 739.831
TPSA？: 295.95
MolLogP？: 3.6691700000000047
Number of H-Donors: 10
Number of H-Acceptors: 9
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|