13-(6-Amino-9H-purin-9-yl)-7-hydroxy-4-eudesmen-12,6-olide; (6β,7α,11β)-form
AlkaPlorer ID: AK287386
Synonym: None
IUPAC Name: 3-[(6-aminopurin-9-yl)methyl]-3a-hydroxy-5a,9-dimethyl-4,5,6,7,8,9b-hexahydro-3H-benzo[g][1]benzofuran-2-one
Structure
SMILES: CC1=C2C3OC(=O)C(CN4C=NC5=C(N)N=CN=C54)C3(O)CCC2(C)CCC1
InChI: InChI=1S/C20H25N5O3/c1-11-4-3-5-19(2)6-7-20(27)12(18(26)28-15(20)13(11)19)8-25-10-24-14-16(21)22-9-23-17(14)25/h9-10,12,15,27H,3-8H2,1-2H3,(H2,21,22,23)
InChIKey: CGEFTVMNBWUBPA-UHFFFAOYSA-N
Reference
CAS: 1357258-98-0
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Sphaeranthus indicus | Sphaeranthus | Asteraceae | Asterales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 383.4520000000003
TPSA？: 116.15
MolLogP？: 1.981699999999999
Number of H-Donors: 2
Number of H-Acceptors: 8
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|