UNPD57974
AlkaPlorer ID: AK002356
Synonym: None
IUPAC Name: methyl 3-[5-[[12-ethenyl-11-[[4-(3-methoxy-3-oxopropyl)-3-methyl-5-oxopyrrol-2-yl]methylidene]-6,13-dimethyl-4,10-diazatricyclo[8.3.0.03,7]trideca-1,3(7),5,12-tetraen-5-yl]methylidene]-4-methyl-2-oxopyrrol-3-yl]propanoate
Structure
SMILES: C=CC1=C(C=C2N=C(O)C(CCC(=O)OC)=C2C)N2CCC3=C(C)C(C=C4NC(=O)C(CCC(=O)OC)=C4C)=NC3=CC2=C1C
InChI: InChI=1S/C35H38N4O6/c1-8-22-21(5)30-17-29-23(18(2)26(36-29)15-27-19(3)24(34(42)37-27)9-11-32(40)44-6)13-14-39(30)31(22)16-28-20(4)25(35(43)38-28)10-12-33(41)45-7/h8,15-17H,1,9-14H2,2-7H3,(H,37,42)(H,38,43)
InChIKey: JAHNNTYKDAMSFA-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Chrysosplenium nudicaule | Chrysosplenium | Saxifragaceae | Saxifragales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Dalea filiciformis | Dalea | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 610.7110000000001
TPSA？: 131.57999999999998
MolLogP？: 5.819320000000007
Number of H-Donors: 2
Number of H-Acceptors: 8
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|