(3S,6S,9S,17aS)-6-[(4-hydroxyphenyl)methyl]-3-isopropyl-9-methyl-dodecahydropyrrolo[1,2-a]1,4,7,10,13-pentaazacyclopentadecane-1,4,7,10,13-pentone
AlkaPlorer ID: AK138494
Synonym: None
IUPAC Name: (6S,9S,12S,15S)-9-[(4-hydroxyphenyl)methyl]-6-methyl-12-propan-2-yl-1,4,7,10,13-pentazabicyclo[13.3.0]octadecane-2,5,8,11,14-pentone
Structure
SMILES: CC(C)[C@@H]1N=C(O)[C@@H]2CCCN2C(=O)CN=C(O)[C@H](C)N=C(O)[C@H](CC2=CC=C(O)C=C2)N=C1O
InChI: InChI=1S/C24H33N5O6/c1-13(2)20-24(35)27-17(11-15-6-8-16(30)9-7-15)22(33)26-14(3)21(32)25-12-19(31)29-10-4-5-18(29)23(34)28-20/h6-9,13-14,17-18,20,30H,4-5,10-12H2,1-3H3,(H,25,32)(H,26,33)(H,27,35)(H,28,34)/t14-,17-,18-,20-/m0/s1
InChIKey: KOAOTGWPRULPKG-RNVRALISSA-N
Reference
Cyclopeptides and Amides from <i>Pseudostellaria heterophylla</i> (Caryophyllaceae)
PubChem CID: 12067616
LOTUS: LTS0273230
SuperNatural Ⅲ: SN0190776-02
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Stellaria palustris | Stellaria | Caryophyllaceae | Caryophyllales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 487.5570000000001
TPSA？: 170.9
MolLogP？: 2.5470000000000006
Number of H-Donors: 5
Number of H-Acceptors: 6
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|