01
- Entity Type
- Ingredients
- Relation Groups
- 2
- Relation Preview
- 10
Basic Information
Grouped by core information, identifiers, and descriptions.
Core Information
- Name
- Segetoside i
- Molecular Formula
- C67H108O13PSi3+
- Molecular Weight
- No data
- Canonical SMILES
- CCOCC.CC(CCCC(=O)OC)C#CC=CCO[PH+]=O.CC(CCCC(=O)OC)C#CC=CC=CC(C)CC#C[Si](C)(C)C.CC(C)(C)[Si](C)(C)OC(CC#C[Si](C)(C)C)C=O.COC(=O)CCCC(C#CC=CC=CC(CC#C)O)O
- Isomeric SMILES
- CCOCC.C[C@H](CCCC(=O)OC)C#C/C=C/CO[PH+]=O.C[C@H](CCCC(=O)OC)C#C/C=C/C=C/[C@H](C)CC#C[Si](C)(C)C.CC(C)(C)[Si](C)(C)OC(CC#C[Si](C)(C)C)C=O.COC(=O)CCC[C@H](C#C/C=C/C=C/[C@@H](CC#C)O)O
- InChI
- InChI=1S/C21H32O2Si.C16H20O4.C14H28O2Si2.C12H18O4P.C4H10O/c1-19(15-11-17-21(22)23-3)13-9-7-8-10-14-20(2)16-12-18-24(4,5)6;1-3-9-14(17)10-6-4-5-7-11-15(18)12-8-13-16(19)20-2;1-14(2,3)18(7,8)16-13(12-15)10-9-11-17(4,5)6;1-11(8-6-9-12(13)15-2)7-4-3-5-10-16-17-14;1-3-5-4-2/h7-8,10,14,19-20H,11,15-17H2,1-6H3;1,4-6,10,14-15,17-18H,8-9,12-13H2,2H3;12-13H,10H2,1-8H3;3,5,11,17H,6,8-10H2,1-2H3;3-4H2,1-2H3/q;;;+1;/b8-7+,14-10+;5-4+,10-6+;;5-3+;/t19-,20-;14-,15+;;11-;/m01.0./s1
- Oral Bioavailability
- No data
- Drug Likeness
- 0.012
- DL Score
- No data
- Caco-2 Permeability
- No data
- ALogP
- No data
- Bioavailability Score
- No data
Identifiers
- InChI Key
- No data
- PubChem CID
- No data
Description and Extensions
- Toxicity Information
- No data
Related
Related Entities
Direct relations and traceable candidates grouped by relation type.
Active Targets
ingredient target8 Targets
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