(3S,6S,9S,17aS)-3-[(4-hydroxyphenyl)methyl]-9-methyl-6-(2-methylpropyl)-dodecahydropyrrolo[1,2-a]1,4,7,10,13-pentaazacyclopentadecane-1,4,7,10,13-pentone
AlkaPlorer ID: AK362873
Synonym: None
IUPAC Name: 12-[(4-hydroxyphenyl)methyl]-6-methyl-9-(2-methylpropyl)-1,4,7,10,13-pentazabicyclo[13.3.0]octadecane-2,5,8,11,14-pentone
Structure
SMILES: CC(C)CC1N=C(O)C(CC2=CC=C(O)C=C2)N=C(O)C2CCCN2C(=O)CN=C(O)C(C)N=C1O
InChI: InChI=1S/C25H35N5O6/c1-14(2)11-18-23(34)27-15(3)22(33)26-13-21(32)30-10-4-5-20(30)25(36)29-19(24(35)28-18)12-16-6-8-17(31)9-7-16/h6-9,14-15,18-20,31H,4-5,10-13H2,1-3H3,(H,26,33)(H,27,34)(H,28,35)(H,29,36)
InChIKey: DBUMGRDLKHIWEI-UHFFFAOYSA-N
Reference
Cyclopeptides and Amides from <i>Pseudostellaria heterophylla</i> (Caryophyllaceae)
PubChem CID: 85129863
LOTUS: LTS0043551
COCONUT: CNP0248346.2
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Stellaria palustris | Stellaria | Caryophyllaceae | Caryophyllales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 501.58400000000034
TPSA？: 170.9
MolLogP？: 2.937100000000001
Number of H-Donors: 5
Number of H-Acceptors: 6
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|