Integerrine
AlkaPlorer ID: AK038120
Synonym: '', 'Integerrine'
IUPAC Name: (2S)-2-(dimethylamino)-N-[(3R,4S,7S,10Z)-7-(1H-indol-3-ylmethyl)-5,8-dioxo-3-phenyl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]-3-methylbutanamide
Structure
SMILES: CC(C)[C@@H](C(O)=N[C@@H]1C(O)=N[C@@H](CC2=CNC3=CC=CC=C23)C(O)=N/C=C\C2=CC=C(C=C2)O[C@@H]1C1=CC=CC=C1)N(C)C
InChI: InChI=1S/C35H39N5O4/c1-22(2)31(40(3)4)35(43)39-30-32(24-10-6-5-7-11-24)44-26-16-14-23(15-17-26)18-19-36-33(41)29(38-34(30)42)20-25-21-37-28-13-9-8-12-27(25)28/h5-19,21-22,29-32,37H,20H2,1-4H3,(H,36,41)(H,38,42)(H,39,43)/b19-18-/t29-,30-,31-,32+/m0/s1
InChIKey: BDHCXPWIDHVEQN-LKTJRWEVSA-N
Reference
Cyclopeptide Alkaloids. Phencyclopeptines From the Polymorphic Species Ceanothus integerrimus
PubChem CID: 5281590
CAS: 18397-13-2
LOTUS: LTS0230473
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Ceanothus integerrimus | Ceanothus | Rhamnaceae | Rosales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 593.7280000000002
TPSA？: 126.03
MolLogP？: 6.707900000000006
Number of H-Donors: 4
Number of H-Acceptors: 5
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|