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
- 14571
- Core Entity Id
- 19361
- Source Entity Count
- 1
- Preferred Name
- Cirenshenoside u
- Name En
- Pubchem Id
- 59045440
- Smiles Canonical
- CC(=O)OC1C(C(C(OC1C(=O)OC)O)OC(=O)C)O.[Ac]
- Molecular Formula
- C11H16AcO9
- Molecular Weight
- 519.2400
- Inchikey
- ZVZYSISBQUNUPI-FSIMTCOASA-N
- Inchi
- InChI=1S/C11H16O9.Ac/c1-4(12)18-7-6(14)8(19-5(2)13)11(16)20-9(7)10(15)17-3;/h6-9,11,14,16H,1-3H3;/t6-,7-,8+,9-,11?;/m0./s1
- Isomeric Smiles
- CC(=O)O[C@H]1[C@@H]([C@H](C(O[C@@H]1C(=O)OC)O)OC(=O)C)O.[Ac]
- Cas Id
- Ob Score
- Mol Logp
- -1.8991
- Num H Donors
- 2
- Num H Acceptors
- 9
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.3250
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Cirenshenoside U
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Cirenshenoside U
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Cirenshenoside u
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Cirenshenoside u
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
东北刺人参
Role
TCM_name
Source
TCMBank
Preferred
No
Name
DONG BEI CI REN SHEN
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Northeast Spineginseng*, Tall Oplopanax
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
东北刺人参DONG BEI CI REN SHENNortheast Spineginseng*, Tall Oplopanax
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN020713
Tcmid
3739
Pub Chem
59045440
Tcmbank
TCMBANKIN042440
Etcm Ingredient
Cirenshenoside U
Itcmdb Generated
ITX-INGREDIENT-B14DA80FF7A9
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C11H16O9.Ac/c1-4(12)18-7-6(14)8(19-5(2)13)11(16)20-9(7)10(15)17-3;/h6-9,11,14,16H,1-3H3;/t6-,7-,8+,9-,11?;/m0./s1
Mol Wt
519.24
Mol Log P
-1.899099999999999
In Ch Ikey
ZVZYSISBQUNUPI-FSIMTCOASA-N
Tcm Name
东北刺人参
Tcm Name2
DONG BEI CI REN SHEN
Mol2 Path
/TCM_database/2007_3d_all/03739.mol2
Reference
4840
Num Hdonors
2
Tcm Name En
Northeast Spineginseng*, Tall Oplopanax
Drug Likeness
0.325
Num Hacceptors
9
Isomeric Smiles
CC(=O)O[C@H]1[C@@H]([C@H](C(O[C@@H]1C(=O)OC)O)OC(=O)C)O.[Ac]
Canonical Smiles
CC(=O)OC1C(C(C(OC1C(=O)OC)O)OC(=O)C)O.[Ac]
Molecular Weight
1086.560
Molecular Formula
C54H86O22
Molecular Formula
C11H16AcO9
Num Rotatable Bonds
3
Fda Maximum Daily Dose (Fdamdd)
0.066
Quantitative Estimate Of Drug Likeness（Qed）
0.086