Annumuricatin C
AlkaPlorer ID: AK067036
Synonym: None
IUPAC Name: (3S,6S,9S,12S,18S)-12-benzyl-6-(hydroxymethyl)-3-methyl-9-propan-2-yl-1,4,7,10,13,16-hexazabicyclo[16.3.0]henicosane-2,5,8,11,14,17-hexone
Structure
SMILES: CC(C)[C@@H]1NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](CO)NC1=O
InChI: InChI=1S/C27H38N6O7/c1-15(2)22-26(39)31-19(14-34)24(37)29-16(3)27(40)33-11-7-10-20(33)25(38)28-13-21(35)30-18(23(36)32-22)12-17-8-5-4-6-9-17/h4-6,8-9,15-16,18-20,22,34H,7,10-14H2,1-3H3,(H,28,38)(H,29,37)(H,30,35)(H,31,39)(H,32,36)/t16-,18-,19-,20-,22-/m0/s1
InChIKey: NTRKFALVAIXZGY-OYJIISJGSA-N
Reference
Cyclopeptides with Anti-inflammatory Activity from Seeds of <i>Annona montana</i>
PubChem CID: 11489828
LOTUS: LTS0066244
SuperNatural Ⅲ: SN0254987-01
NPASS: NPC202521
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Annona montana | Annona | Annonaceae | Magnoliales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 558.6360000000004
TPSA？: 186.04
MolLogP？: -2.0426999999999924
Number of H-Donors: 6
Number of H-Acceptors: 7
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | A549 | Activity | nan | None | 10.1021/np8001282 |
| Homo sapiens | Ca9-22 | Activity | nan | None | 10.1021/np8001282 |
| Homo sapiens | HepG2 | Activity | nan | None | 10.1021/np8001282 |
| Homo sapiens | KB | IC50 | 1000.0 | nM | 10.1021/np8001282 |
| Homo sapiens | MCF7 | Activity | nan | None | 10.1021/np8001282 |
| Homo sapiens | MDA-MB-231 | Activity | nan | None | 10.1021/np8001282 |
| Mus musculus | J774.A1 | Activity | 50.0 | % | 10.1021/np8001282 |
| None | NON-PROTEIN TARGET | Activity | nan | None | 10.1021/np8001282 |