Amphibine A
AlkaPlorer ID: AK036373
Synonym: '', 'Amphibine A', 'Discarine X', 'Waltherine B'
IUPAC Name: (2S)-N-[(3S,4R,7S,10E)-7-[(2R)-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-(1H-indol-3-yl)propanamide
Structure
SMILES: CC[C@@H](C)[C@@H]1N=C(O)[C@H](N=C(O)[C@H](CC2=CNC3=CC=CC=C23)N(C)C)[C@H](C(C)C)OC2=CC=C(/C=C/N=C1O)C=C2
InChI: InChI=1S/C33H43N5O4/c1-7-21(4)28-32(40)34-17-16-22-12-14-24(15-13-22)42-30(20(2)3)29(33(41)36-28)37-31(39)27(38(5)6)18-23-19-35-26-11-9-8-10-25(23)26/h8-17,19-21,27-30,35H,7,18H2,1-6H3,(H,34,40)(H,36,41)(H,37,39)/b17-16+/t21-,27+,28+,29-,30+/m1/s1
InChIKey: ZNUMAFXIQXNMMH-BRFWYRPSSA-N
Reference
Four Cyclopeptide Alkaloids from Discaria longispina
PubChem CID: 163045483
LOTUS: LTS0095407
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Discaria americana | Discaria | Rhamnaceae | Rosales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 573.7380000000003
TPSA？: 126.03
MolLogP？: 6.381300000000006
Number of H-Donors: 4
Number of H-Acceptors: 5
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|