Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 42913
- Core Entity Id
- 85924
- Source Entity Count
- 1
- Preferred Name
- Schisanhenrin
- Name En
- Pubchem Id
- 5321171
- Smiles Canonical
- C/C=C(/C)C(=O)O[C@H]1c2cc(OC)c(OC)c(OC)c2-c2c(cc3c(c2OC)OCO3)C[C@H](C)[C@@]1(C)O
- Molecular Formula
- C28H34O9
- Molecular Weight
- 514.2200
- Inchikey
- BKGUPIVDQHHVMV-ZQJDBEKWSA-N
- Inchi
- InChI=1S/C28H34O9/c1-9-14(2)27(29)37-26-17-12-18(31-5)22(32-6)25(34-8)21(17)20-16(10-15(3)28(26,4)30)11-19-23(24(20)33-7)36-13-35-19/h9,11-12,15,26,30H,10,13H2,1-8H3/b14-9-/t15-,26-,28+/m0/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 4.6000
- Num H Donors
- 1
- Num H Acceptors
- 9
- Num Rotatable Bonds
- 7
- Drug Likeness
- Polar Surface Area
- 102.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Schisanhenrin
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Schisanhenrin
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Schisanhenrin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
翼梗五味子
Role
TCM_name
Source
TCMBank
Preferred
No
Name
YI GENG WU WEI ZI
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Henry MagnoIiavine
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
翼梗五味子YI GENG WU WEI ZIHenry MagnoIiavine
Cross References
Trusted external identifiers retained for this final record.
Sym Map
SMIT26672
Tcmbank
TCMBANKIN009673
Etcm Ingredient
Schisanhenrin
Itcmdb Generated
ITX-INGREDIENT-0577D9F9417DITX-INGREDIENT-26E27683C9C0ITX-INGREDIENT-E57A687A82C9
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
Smiles
c1(OC([H])([H])[H])c(OC([H])([H])[H])c([H])c([C@]([H])(OC(=O)\C(\C([H])([H])[H])=C(/C([H])([H])[H])[H])[C@](C([H])([H])[H])(O[H])[C@@]([H])(C([H])([H])[H])C([H])([H])c(c([H])c(OC([H])([H])O2)c2c3OC([H
])([H])[H])c34)c4c1OC([H])([H])[H]
Version
v2
Suppress
0
Tcm Name
翼梗五味子
Tcm Name2
YI GENG WU WEI ZI
Mol2 Path
/TCM_database/2003_3d_all/7575.mol2
Reference
658
Tcm Name En
Henry MagnoIiavine
Molecular Weight
514.220
Molecular Formula
C28H34O9
Molecular Formula
C28H34O9
Fda Maximum Daily Dose (Fdamdd)
0.190
Quantitative Estimate Of Drug Likeness（Qed）
0.437