Dianthin E
AlkaPlorer ID: AK031236
Synonym: None
IUPAC Name: (3S,6S,9S,12S,18S)-9-benzyl-3-[(2S)-butan-2-yl]-6-(hydroxymethyl)-12-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@H](C)[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](C(C)C)NC(=O)CNC(=O)[C@@H]2CCCN2C1=O
InChI: InChI=1S/C30H44N6O7/c1-5-18(4)25-30(43)36-13-9-12-22(36)28(41)31-15-23(38)34-24(17(2)3)29(42)32-20(14-19-10-7-6-8-11-19)26(39)33-21(16-37)27(40)35-25/h6-8,10-11,17-18,20-22,24-25,37H,5,9,12-16H2,1-4H3,(H,31,41)(H,32,42)(H,33,39)(H,34,38)(H,35,40)/t18-,20-,21-,22-,24-,25-/m0/s1
InChIKey: NHNDCMROOPKDNF-BYZHJWIBSA-N
Reference
New cyclic peptides with osteoblastic proliferative activity from Dianthus superbus
PubChem CID: 21589729
LOTUS: LTS0132824
SuperNatural Ⅲ: SN0245718-02
NPASS: NPC6975
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Dianthus superbus | Dianthus | Caryophyllaceae | Caryophyllales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 600.717
TPSA？: 186.04
MolLogP？: -1.0164999999999906
Number of H-Donors: 6
Number of H-Acceptors: 7
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| None | Molecular identity unknown | Activity | 10.3 | % | 10.1016/j.bmcl.2012.01.058 |
| None | Molecular identity unknown | Activity | 14.9 | % | 10.1016/j.bmcl.2012.01.058 |
| None | Molecular identity unknown | Activity | 19.5 | % | 10.1016/j.bmcl.2012.01.058 |
| None | Molecular identity unknown | Activity | 31.3 | % | 10.1016/j.bmcl.2012.01.058 |