Stellarin C
AlkaPlorer ID: AK314298
Synonym: Yunnanin E
IUPAC Name: 6,9-dibenzyl-12-(4-hydroxybutan-2-yl)-3,15-bis(hydroxymethyl)-1,4,7,10,13,16-hexazacyclooctadecane-2,5,8,11,14,17-hexone
Structure
SMILES: CC(CCO)C1N=C(O)C(CO)N=C(O)CN=C(O)C(CO)N=C(O)C(CC2=CC=CC=C2)N=C(O)C(CC2=CC=CC=C2)N=C1O
InChI: InChI=1S/C32H42N6O9/c1-19(12-13-39)27-32(47)36-23(15-21-10-6-3-7-11-21)29(44)35-22(14-20-8-4-2-5-9-20)30(45)37-24(17-40)28(43)33-16-26(42)34-25(18-41)31(46)38-27/h2-11,19,22-25,27,39-41H,12-18H2,1H3,(H,33,43)(H,34,42)(H,35,44)(H,36,47)(H,37,45)(H,38,46)
InChIKey: NARUKCDDLJCIHE-UHFFFAOYSA-N
Reference
Cyclopeptides from Stellaria yunnanensis
PubChem CID: 162910158
LOTUS: LTS0163281
COCONUT: CNP0178930.2
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Stellaria yunnanensis | Stellaria | Caryophyllaceae | Caryophyllales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 654.7210000000001
TPSA？: 256.23
MolLogP？: 2.0705000000000044
Number of H-Donors: 9
Number of H-Acceptors: 9
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|