(3R,7R,10S)-10-[(2S)-butan-2-yl]-6-[(2S)-2-(dimethylamino)-4-methylpentanoyl]-16-methoxy-2-oxa-6,9,12-triazatricyclo[13.3.1.0³,⁷]nonadeca-1(19),13,15,17-tetraene-8,11-dione
AlkaPlorer ID: AK346343
Synonym: None
IUPAC Name: (3R,7R,10S,13Z)-10-[(2S)-butan-2-yl]-6-[(2S)-2-(dimethylamino)-4-methylpentanoyl]-16-methoxy-2-oxa-6,9,12-triazatricyclo[13.3.1.03,7]nonadeca-1(19),13,15,17-tetraene-8,11-dione
Structure
SMILES: CC[C@H](C)[C@@H]1N=C(O)[C@H]2[C@@H](CCN2C(=O)[C@H](CC(C)C)N(C)C)OC2=CC=C(OC)C(=C2)/C=C\N=C1O
InChI: InChI=1S/C28H42N4O5/c1-8-18(4)24-26(33)29-13-11-19-16-20(9-10-22(19)36-7)37-23-12-14-32(25(23)27(34)30-24)28(35)21(31(5)6)15-17(2)3/h9-11,13,16-18,21,23-25H,8,12,14-15H2,1-7H3,(H,29,33)(H,30,34)/b13-11-/t18-,21-,23+,24-,25+/m0/s1
InChIKey: BPPFBXBVJWRESO-NWEGYHKVSA-N
Reference
Cyclopeptide alkaloids from Ziziphus mucronata
PubChem CID: 163190108
LOTUS: LTS0271044
SuperNatural Ⅲ: SN0031968-02
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Ziziphus mucronata | Ziziphus | Rhamnaceae | Rosales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 514.6670000000003
TPSA？: 107.19
MolLogP？: 4.331800000000003
Number of H-Donors: 2
Number of H-Acceptors: 6
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|