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
- 50363
- Core Entity Id
- 93374
- Source Entity Count
- 1
- Preferred Name
- eleutheroside E1
- Name En
- Pubchem Id
- 443024
- Smiles Canonical
- COc1cc([C@H]2OC[C@H]3[C@@H]2CO[C@@H]3c2cc(OC)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)c2)cc(OC)c1O
- Molecular Formula
- C28H36O13
- Molecular Weight
- 581.0000
- Inchikey
- WEKCEGQSIIQPAQ-IRBNZIFYSA-N
- Inchi
- InChI=1S/C28H36O13/c1-34-16-5-12(6-17(35-2)21(16)30)25-14-10-39-26(15(14)11-38-25)13-7-18(36-3)27(19(8-13)37-4)41-28-24(33)23(32)22(31)20(9-29)40-28/h5-8,14-15,20,22-26,28-33H,9-11H2,1-4H3/t14-,15-,20+,22+,23-,24+,25+,26+,28-/m0/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 0.0000
- Num H Donors
- 5
- Num H Acceptors
- 13
- Num Rotatable Bonds
- 9
- Drug Likeness
- Polar Surface Area
- 175.0000
- Molecular Volume
- 375.0000
- Alogp
- 0.0000
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
eleutheroside E1
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
eleutheroside E1
Role
preferred
Source
TCMBank
Preferred
Yes
Name
红藤
Role
TCM_name
Source
TCMBank
Preferred
No
Name
Sargentodoxa cuneata
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
2.清热药(64-64)
Role
level1_name
Source
TCMBank
Preferred
No
Name
heat-clearing medicinal
Role
level1_name_en
Source
TCMBank
Preferred
No
Name
3.清热解毒药(30-30)
Role
level2_name
Source
TCMBank
Preferred
No
Name
heat-clearing and detoxicating medicinal
Role
level2_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
红藤Sargentodoxa cuneata2.清热药(64-64)heat-clearing medicinal3.清热解毒药(30-30)heat-clearing and detoxicating medicinal
Cross References
Trusted external identifiers retained for this final record.
Tcmbank
TCMBANKIN034463
Etcm Ingredient
eleutheroside E1
Itcmdb Generated
ITX-INGREDIENT-45D75EB0EA4DITX-INGREDIENT-AEA5F07AB1E5
Attributes
Merged source attributes and domain-specific metadata.
Alog P
0
Smiles
c1(OC([H])([H])[H])c([H])c([C@@]2([H])OC([H])([H])[C@]([H])([C@@]([H])(c3c([H])c(OC([H])([H])[H])c(O[C@]4([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]4([H])O[H])c(OC([H])([H])[H
])c3[H])OC5([H])[H])[C@@]25[H])c([H])c(OC([H])([H])[H])c1O[H]
37 Flag
37
C Count
28
N Count
0
O Count
13
P Count
0
S Count
0
Tcm Name
红藤
Mol2 Path
/TCM_database/2.清热药(64-64)/3.清热解毒药(30-30)/红藤/structure/eleutheroside E1.mol2
Tcm Name En
Sargentodoxa cuneata
Level1 Name
2.清热药(64-64)
Level2 Name
3.清热解毒药(30-30)
Num H Donors
5
Level1 Name En
heat-clearing medicinal
Level2 Name En
heat-clearing and detoxicating medicinal
Num H Acceptors
13
Molecular Weight
580.220
Molecular Volume
375
Molecular Weight
581
Molecular Formula
C28H36O13
Molecular Formula
C28H36O13
Num Rotatable Bonds
9
Molecular Polar Surface Area
175
Fda Maximum Daily Dose (Fdamdd)
0.248
Quantitative Estimate Of Drug Likeness（Qed）
0.280