Adouetine Y'; Stereoisomer (2)
AlkaPlorer ID: AK283364
Synonym: Myrianthine B, Alkaloid AM 1
IUPAC Name: N-(7-butan-2-yl-5,8-dioxo-3-propan-2-yl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl)-2-(dimethylamino)-3-phenylpropanamide
Structure
SMILES: CCC(C)C1N=C(O)C(N=C(O)C(CC2=CC=CC=C2)N(C)C)C(C(C)C)OC2=CC=C(C=CN=C1O)C=C2
InChI: InChI=1S/C31H42N4O4/c1-7-21(4)26-30(37)32-18-17-22-13-15-24(16-14-22)39-28(20(2)3)27(31(38)33-26)34-29(36)25(35(5)6)19-23-11-9-8-10-12-23/h8-18,20-21,25-28H,7,19H2,1-6H3,(H,32,37)(H,33,38)(H,34,36)
InChIKey: NFJKQANKUCVGAW-UHFFFAOYSA-N
Reference
Antibacterial cyclopeptide alkaloids from the bark of Condalia buxifolia
PubChem CID: 99820
CAS: 24532-77-2
LOTUS: LTS0128651
COCONUT: CNP0214038.13
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Myrianthus arboreus | Myrianthus | Urticaceae | Rosales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 534.7010000000002
TPSA？: 110.24
MolLogP？: 5.900000000000006
Number of H-Donors: 3
Number of H-Acceptors: 5
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|