1-[(2S,3R)-7-[(E)-2-carbamimidamidoethenyl]-3-(3,4-dihydroxyphenyl)-2,3-dihydro-1,4-benzodioxin-2-yl]guanidine
AlkaPlorer ID: AK041447
Synonym: None
IUPAC Name: 2-[(E)-2-[(2S,3S)-3-(diaminomethylideneamino)-2-(3,4-dihydroxyphenyl)-2,3-dihydro-1,4-benzodioxin-6-yl]ethenyl]guanidine
Structure
SMILES: N=C(N)N/C=C/C1=CC=C2O[C@@H](C3=CC=C(O)C(O)=C3)[C@@H](NC(=N)N)OC2=C1
InChI: InChI=1S/C18H20N6O4/c19-17(20)23-6-5-9-1-4-13-14(7-9)28-16(24-18(21)22)15(27-13)10-2-3-11(25)12(26)8-10/h1-8,15-16,25-26H,(H4,19,20,23)(H4,21,22,24)/b6-5+/t15-,16-/m0/s1
InChIKey: POJHWMYSBBRFBZ-DKLOGILVSA-N
Reference
Chemical diversity in the scleractinian coral Astroides calycularis
PubChem CID: 163006625
LOTUS: LTS0132872
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Astroides calycularis | Astroides | Dendrophylliidae | Scleractinia | Anthozoa | Cnidaria | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 384.3960000000001
TPSA？: 182.72000000000003
MolLogP？: 0.8732399999999991
Number of H-Donors: 8
Number of H-Acceptors: 6
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|