Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 3Ingredient: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 63745
- Core Entity Id
- 110763
- Source Entity Count
- 1
- Preferred Name
- Genipin 1-Gentiobioside
- Name En
- Pubchem Id
- 3082301
- Smiles Canonical
- COC(=O)C1=COC(C2C1CC=C2CO)OC3C(C(C(C(O3)COC4C(C(C(C(O4)CO)O)O)O)O)O)O
- Molecular Formula
- C23H34O15
- Molecular Weight
- 550.1900
- Inchikey
- FYZYXYLPBWLLGI-AUOPOVQUSA-N
- Inchi
- InChI=1S/C23H34O15/c1-33-20(32)10-6-34-21(13-8(4-24)2-3-9(10)13)38-23-19(31)17(29)15(27)12(37-23)7-35-22-18(30)16(28)14(26)11(5-25)36-22/h2,6,9,11-19,21-31H,3-5,7H2,1H3/t9-,11-,12-,13-,14-,15-,16+,17+,18-,19-,21+,22-,23+/m1/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- -4.5000
- Num H Donors
- 8
- Num H Acceptors
- 15
- Num Rotatable Bonds
- 9
- Drug Likeness
- Polar Surface Area
- 234.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Genipin 1-Gentiobioside
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
genipin 1-gentiobioside
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Sym Map
SMIT24077
Etcm Ingredient
genipin 1-gentiobioside
Itcmdb Generated
ITX-INGREDIENT-F613234F0BDE
Attributes
Merged source attributes and domain-specific metadata.
Type
Blood ingredients
Version
v2
Suppress
0
Molecular Weight
550.190
Molecule Formula
C23H34O15
Molecular Formula
C23H34O15
Fda Maximum Daily Dose (Fdamdd)
0.010
Quantitative Estimate Of Drug Likeness（Qed）
0.105