(1S,7S,10S,16S,22S,25S,28S)-22,28-bis[(4-hydroxyphenyl)methyl]-10,25-diisopropyl-3,9,12,18,21,24,27,30-octaazatetracyclo[28.3.0.0³,⁷.0¹²,¹⁶]tritriacontan-2,8,11,17,20,23,26,29-octone
AlkaPlorer ID: AK255652
Synonym: None
IUPAC Name: (1S,7S,10S,16S,22S,25S,28S)-22,28-bis[(4-hydroxyphenyl)methyl]-10,25-di(propan-2-yl)-3,9,12,18,21,24,27,30-octazatetracyclo[28.3.0.03,7.012,16]tritriacontane-2,8,11,17,20,23,26,29-octone
Structure
SMILES: CC(C)[C@@H]1N=C(O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](CC2=CC=C(O)C=C2)N=C(O)[C@H](C(C)C)N=C(O)[C@H](CC2=CC=C(O)C=C2)N=C(O)CN=C(O)[C@@H]2CCCN2C1=O
InChI: InChI=1S/C45H60N8O10/c1-25(2)37-42(60)48-32(23-28-13-17-30(55)18-14-28)43(61)53-21-7-10-35(53)44(62)51-19-6-9-34(51)41(59)50-38(26(3)4)45(63)52-20-5-8-33(52)40(58)46-24-36(56)47-31(39(57)49-37)22-27-11-15-29(54)16-12-27/h11-18,25-26,31-35,37-38,54-55H,5-10,19-24H2,1-4H3,(H,46,58)(H,47,56)(H,48,60)(H,49,57)(H,50,59)/t31-,32-,33-,34-,35-,37-,38-/m0/s1
InChIKey: BAQMGOUWOXKILR-NNXYFESASA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Annona senegalensis | Annona | Annonaceae | Magnoliales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 873.0209999999997
TPSA？: 264.34
MolLogP？: 4.438500000000005
Number of H-Donors: 7
Number of H-Acceptors: 10
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|