Cyclomontanin D
AlkaPlorer ID: AK084243
Synonym: None
IUPAC Name: 2-[(3S,9S,15S,18S,21S,24S)-21-[(4-hydroxyphenyl)methyl]-18-methyl-3-(2-methylpropyl)-2,5,8,14,17,20,23-heptaoxo-1,4,7,13,16,19,22-heptazatricyclo[22.3.0.09,13]heptacosan-15-yl]acetamide
Structure
SMILES: CC(C)C[C@@H]1N=C(O)CN=C(O)[C@@H]2CCCN2C(=O)[C@H](CC(=N)O)N=C(O)[C@H](C)N=C(O)[C@H](CC2=CC=C(O)C=C2)N=C(O)[C@@H]2CCCN2C1=O
InChI: InChI=1S/C34H48N8O9/c1-18(2)14-23-33(50)42-13-5-7-26(42)32(49)39-22(15-20-8-10-21(43)11-9-20)30(47)37-19(3)29(46)40-24(16-27(35)44)34(51)41-12-4-6-25(41)31(48)36-17-28(45)38-23/h8-11,18-19,22-26,43H,4-7,12-17H2,1-3H3,(H2,35,44)(H,36,48)(H,37,47)(H,38,45)(H,39,49)(H,40,46)/t19-,22-,23-,24-,25-,26-/m0/s1
InChIKey: SRGSUICLJQYQAF-KTHKBMNISA-N
Reference
Cyclopeptides with Anti-inflammatory Activity from Seeds of <i>Annona montana</i>
PubChem CID: 25018460
LOTUS: LTS0264441
SuperNatural Ⅲ: SN0353220-01
NPASS: NPC56685
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Annona montana | Annona | Annonaceae | Magnoliales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 712.805
TPSA？: 267.88
MolLogP？: 3.178570000000006
Number of H-Donors: 8
Number of H-Acceptors: 9
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Klebsiella pneumoniae | Klebsiella pneumoniae | MIC | 6.0 | ug.mL-1 | 10.1016/j.ejmech.2021.113221 |
| Microsporum audouinii | Microsporum audouinii | MIC | 6.0 | ug.mL-1 | 10.1016/j.ejmech.2021.113221 |
| Mus musculus | J774.A1 | Activity | 50.0 | % | 10.1021/np8001282 |
| Mus musculus | J774.A1 | Activity | nan | None | 10.1021/np8001282 |
| Mus musculus | J774.A1 | Inhibition | 20.0 | % | 10.1021/np8001282 |
| Mus musculus | J774.A1 | Inhibition | 50.0 | % | 10.1021/np8001282 |
| Mus musculus | J774.A1 | Inhibition | 60.0 | % | 10.1021/np8001282 |
| Mus musculus | J774.A1 | Inhibition | 85.0 | % | 10.1021/np8001282 |
| Mus musculus | J774.A1 | Inhibition | 90.0 | % | 10.1021/np8001282 |
| Pseudomonas aeruginosa | Pseudomonas aeruginosa | MIC | 6.0 | ug.mL-1 | 10.1016/j.ejmech.2021.113221 |
| Trichophyton mentagrophytes | Trichophyton mentagrophytes | MIC | 6.0 | ug.mL-1 | 10.1016/j.ejmech.2021.113221 |