Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 50600
- Core Entity Id
- 93611
- Source Entity Count
- 1
- Preferred Name
- Schisantherin C
- Name En
- Pubchem Id
- 6443826
- 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
- 515.0000
- Inchikey
- BKGUPIVDQHHVMV-LSHKVNPSSA-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
- 5.0000
- Num H Donors
- 1
- Num H Acceptors
- 9
- Num Rotatable Bonds
- 7
- Drug Likeness
- Polar Surface Area
- 102.0000
- Molecular Volume
- 357.0000
- Alogp
- 5.0000
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Schisantherin C
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Schisantherin C
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
schisantherin C
Role
preferred
Source
TCMBank
Preferred
Yes
Name
五味子
Role
TCM_name
Source
TCMBank
Preferred
No
Name
五味子
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Schisandra chinensis
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
14.收涩药(17-17)
Role
level1_name
Source
TCMBank
Preferred
No
Name
astringent medicinal
Role
level1_name_en
Source
TCMBank
Preferred
No
Name
2.歛肺涩肠(8-8)
Role
level2_name
Source
TCMBank
Preferred
No
Name
lung-intestine astringent medicinal
Role
level2_name_en
Source
TCMBank
Preferred
No
Name
华中五味子
Role
TCM_name
Source
TCMBank
Preferred
No
Name
HUA ZHONG WU WEI ZI
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Orange Magnol iavine
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
五味子Schisandra chinensis14.收涩药(17-17)astringent medicinal2.歛肺涩肠(8-8)lung-intestine astringent medicinal华中五味子HUA ZHONG WU WEI ZIOrange Magnol iavine
Cross References
Trusted external identifiers retained for this final record.
Sym Map
SMIT26675
Tcmbank
TCMBANKIN035310TCMBANKIN057201
Etcm Ingredient
Schisantherin C
Itcmdb Generated
ITX-INGREDIENT-203FE126A288ITX-INGREDIENT-79E1808E72A9ITX-INGREDIENT-B433654BAC4DITX-INGREDIENT-B25D85056A5E
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
Alog P
5
Smiles
c12c(c(OC([H])([H])[H])c(OC([H])([H])[H])c(OC([H])([H])[H])c1[H])c3c(c([H])c(OC([H])([H])O4)c4c3OC([H])([H])[H])C([H])([H])[C@]([H])(C([H])([H])[H])[C@@](O[H])(C([H])([H])[H])[C@@]2([H])OC(\C(=C(\C([H
])([H])[H])[H])\C([H])([H])[H])=O
37 Flag
37
C Count
28
N Count
0
O Count
9
P Count
0
S Count
0
Version
v2
Suppress
0
Tcm Name
五味子
Tcm Name2
五味子
Mol2 Path
/TCM_database/14.收涩药(17-17)/2.歛肺涩肠(8-8)/五味子/五味子/Structure/schisantherin C.mol2
Reference
2, 658
Tcm Name En
Schisandra chinensis
Level1 Name
14.收涩药(17-17)
Level2 Name
2.歛肺涩肠(8-8)
Num H Donors
1
Level1 Name En
astringent medicinal
Level2 Name En
lung-intestine astringent medicinal
Num H Acceptors
9
Molecular Weight
514.220
Molecular Volume
357
Molecular Weight
515
Molecular Formula
C28H34O9
Molecular Formula
C28H34O9
Num Rotatable Bonds
7
Molecular Polar Surface Area
102
Fda Maximum Daily Dose (Fdamdd)
0.261
Quantitative Estimate Of Drug Likeness（Qed）
0.437