Integerrenine
AlkaPlorer ID: AK033165
Synonym: '(-)-Integerrenine', 'Integerrenine'
IUPAC Name: (2S,3R)-2-(dimethylamino)-3-methyl-N-[(3R,4S,7S,10Z)-7-(2-methylpropyl)-5,8-dioxo-3-phenyl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]pentanamide
Structure
SMILES: CC[C@@H](C)[C@@H](C(O)=N[C@@H]1C(O)=N[C@@H](CC(C)C)C(O)=N/C=C\C2=CC=C(C=C2)O[C@@H]1C1=CC=CC=C1)N(C)C
InChI: InChI=1S/C31H42N4O4/c1-7-21(4)27(35(5)6)31(38)34-26-28(23-11-9-8-10-12-23)39-24-15-13-22(14-16-24)17-18-32-29(36)25(19-20(2)3)33-30(26)37/h8-18,20-21,25-28H,7,19H2,1-6H3,(H,32,36)(H,33,37)(H,34,38)/b18-17-/t21-,25+,26+,27+,28-/m1/s1
InChIKey: KGRSGRNSVOPQEA-NNQIDPCFSA-N
Reference
ChemInform Abstract: SUBSTANCES ISOLATED FROM MELOCHIA PYRAMIDATA L
PubChem CID: 5281588
CAS: 18067-39-5
LOTUS: LTS0218593
SuperNatural Ⅲ: SN0185174-04
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 534.7010000000001
TPSA？: 110.24
MolLogP？: 6.420100000000006
Number of H-Donors: 3
Number of H-Acceptors: 5
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|