18,21-bis(hydroxymethyl)-15-[(1H-indol-3-yl)methyl]-3,12-bis(2-methylpropyl)-1,4,10,13,16,19,22,25-octaazatricyclo[25.3.0.0?,¹?]triacontan-2,5,11,14,17,20,23,26-octone
AlkaPlorer ID: AK179914
Synonym: None
IUPAC Name: 18,21-bis(hydroxymethyl)-15-(1H-indol-3-ylmethyl)-3,12-bis(2-methylpropyl)-1,4,10,13,16,19,22,25-octazatricyclo[25.3.0.06,10]triacontane-2,5,11,14,17,20,23,26-octone
Structure
SMILES: CC(C)CC1N=C(O)C(CC2=CNC3=CC=CC=C23)N=C(O)C(CO)N=C(O)C(CO)N=C(O)CN=C(O)C2CCCN2C(=O)C(CC(C)C)N=C(O)C2CCCN2C1=O
InChI: InChI=1S/C41H59N9O10/c1-22(2)15-28-40(59)50-14-8-12-33(50)39(58)47-29(16-23(3)4)41(60)49-13-7-11-32(49)38(57)43-19-34(53)44-30(20-51)36(55)48-31(21-52)37(56)45-27(35(54)46-28)17-24-18-42-26-10-6-5-9-25(24)26/h5-6,9-10,18,22-23,27-33,42,51-52H,7-8,11-17,19-21H2,1-4H3,(H,43,57)(H,44,53)(H,45,56)(H,46,54)(H,47,58)(H,48,55)
InChIKey: KQNODOAUEGHREJ-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Drymaria cordata | Drymaria | Caryophyllaceae | Caryophyllales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 837.9759999999997
TPSA？: 292.41
MolLogP？: 3.364800000000006
Number of H-Donors: 9
Number of H-Acceptors: 10
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|