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
- 23299
- Core Entity Id
- 29081
- Source Entity Count
- 1
- Preferred Name
- Juglanoside c
- Name En
- Pubchem Id
- 21577029
- Smiles Canonical
- C1CC(=O)C2=C(C1OC3C(C(C(C(O3)CO)O)O)O)C=C(C=C2)O
- Molecular Formula
- C16H20O8
- Molecular Weight
- 340.3280
- Inchikey
- JIUJVEDQFZYETQ-RCZWDNKTSA-N
- Inchi
- InChI=1S/C16H20O8/c17-6-12-13(20)14(21)15(22)16(24-12)23-11-4-3-10(19)8-2-1-7(18)5-9(8)11/h1-2,5,11-18,20-22H,3-4,6H2/t11-,12+,13+,14-,15+,16+/m0/s1
- Isomeric Smiles
- C1CC(=O)C2=C([C@H]1O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C=C(C=C2)O
- Cas Id
- Ob Score
- Mol Logp
- -0.7737
- Num H Donors
- 5
- Num H Acceptors
- 8
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.4840
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Juglanoside C
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Juglanoside C
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Juglanoside c
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Juglanoside c
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
东北胡桃
Role
TCM_name
Source
TCMBank
Preferred
No
Name
DONG BEI HU TAO
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Northeast Walnut*
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
东北胡桃DONG BEI HU TAONortheast Walnut*
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN031578
Npass
NPC195880
Tcmid
11897
Pub Chem
21577029
Tcmbank
TCMBANKIN044171
Etcm Ingredient
Juglanoside C
Itcmdb Generated
ITX-INGREDIENT-84899615E215
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C16H20O8/c17-6-12-13(20)14(21)15(22)16(24-12)23-11-4-3-10(19)8-2-1-7(18)5-9(8)11/h1-2,5,11-18,20-22H,3-4,6H2/t11-,12+,13+,14-,15+,16+/m0/s1
Mol Wt
340.328
Mol Log P
-0.7736999999999998
In Ch Ikey
JIUJVEDQFZYETQ-RCZWDNKTSA-N
Tcm Name
东北胡桃
Tcm Name2
DONG BEI HU TAO
Mol2 Path
/TCM_database/2007_3d_all/11900.mol2
Reference
4285
Num Hdonors
5
Tcm Name En
Northeast Walnut*
Drug Likeness
0.484
Num Hacceptors
8
Isomeric Smiles
C1CC(=O)C2=C([C@H]1O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C=C(C=C2)O
Canonical Smiles
C1CC(=O)C2=C(C1OC3C(C(C(C(O3)CO)O)O)O)C=C(C=C2)O
Molecular Weight
340.120
Molecular Weight
340.32 g/mol
Molecular Formula
C16H20O8
Molecular Formula
C16H20O8
Num Rotatable Bonds
3
Fda Maximum Daily Dose (Fdamdd)
0.014
Quantitative Estimate Of Drug Likeness（Qed）
0.484