cyclomontanin C
AlkaPlorer ID: AK084238
Synonym: '', 'Cyclomontanin C'
IUPAC Name: 2-[(3S,9R,12R,15S,18S,21R,24S,27S,30R)-12-(2-amino-2-oxoethyl)-9,24-dibenzyl-27-[(1R)-1-hydroxyethyl]-18-(1H-imidazol-5-ylmethyl)-2,8,11,14,17,20,23,26,29-nonaoxo-15-propan-2-yl-1,7,10,13,16,19,22,25,28-nonazatricyclo[28.3.0.03,7]tritriacontan-21-yl]acetamide
Structure
SMILES: CC(C)[C@@H]1N=C(O)[C@H](CC2=CN=CN2)N=C(O)[C@@H](CC(=N)O)N=C(O)[C@H](CC2=CC=CC=C2)N=C(O)[C@H]([C@@H](C)O)N=C(O)[C@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@@H](CC2=CC=CC=C2)N=C(O)[C@@H](CC(=N)O)N=C1O
InChI: InChI=1S/C51H67N13O12/c1-27(2)41-48(73)59-35(24-40(53)67)45(70)60-36(21-30-14-8-5-9-15-30)50(75)64-19-11-17-38(64)51(76)63-18-10-16-37(63)47(72)62-42(28(3)65)49(74)58-32(20-29-12-6-4-7-13-29)43(68)57-34(23-39(52)66)44(69)56-33(46(71)61-41)22-31-25-54-26-55-31/h4-9,12-15,25-28,32-38,41-42,65H,10-11,16-24H2,1-3H3,(H2,52,66)(H2,53,67)(H,54,55)(H,56,69)(H,57,68)(H,58,74)(H,59,73)(H,60,70)(H,61,71)(H,62,72)/t28-,32+,33+,34-,35-,36-,37-,38+,41+,42+/m1/s1
InChIKey: POVFXEIWKRHEKP-CJTJNDHGSA-N
Reference
Cyclopeptides with Anti-inflammatory Activity from Seeds of <i>Annona montana</i>
PubChem CID: 162964168
LOTUS: LTS0146033
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Annona montana | Annona | Annonaceae | Magnoliales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 1054.1759999999997
TPSA？: 405.8200000000001
MolLogP？: 4.59644000000001
Number of H-Donors: 13
Number of H-Acceptors: 13
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|