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
- 48688
- Core Entity Id
- 91699
- Source Entity Count
- 1
- Preferred Name
- Arjungenin
- Name En
- Pubchem Id
- 12444386
- Smiles Canonical
- CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)CO)O)O)C)C)C2C1O)C)C(=O)O)C
- Molecular Formula
- C30H48O6
- Molecular Weight
- 504.3500
- Inchikey
- IFIQVSCCFRXSJV-NWCCWSSZSA-N
- Inchi
- InChI=1S/C30H48O6/c1-25(2)11-13-30(24(35)36)14-12-28(5)17(21(30)23(25)34)7-8-20-26(3)15-18(32)22(33)27(4,16-31)19(26)9-10-29(20,28)6/h7,18-23,31-34H,8-16H2,1-6H3,(H,35,36)/t18-,19-,20-,21-,22+,23+,26+,27+,28-,29-,30+/m1/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 4.5000
- Num H Donors
- 5
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 2
- Drug Likeness
- Polar Surface Area
- 118.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Arjungenin
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Arjungenin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Arjungenin
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
诃子
Role
TCM_name
Source
TCMBank
Preferred
No
Name
HE ZI
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Medicine Terminalia
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
诃子HE ZIMedicine Terminalia
Cross References
Trusted external identifiers retained for this final record.
Tcmbank
TCMBANKIN029245
Etcm Ingredient
Arjungenin
Itcmdb Generated
ITX-INGREDIENT-8A22F28B08D0ITX-INGREDIENT-8B8047AE198E
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
Version
v1,v2
Suppress
0
Tcm Name
诃子
Tcm Name2
HE ZI
Mol2 Path
/TCM_database/2007_3d_all/01732.mol2
Reference
660
Tcm Name En
Medicine Terminalia
Molecular Weight
504.350
Molecule Formula
C30H48O6
Molecular Formula
C30H48O6
Fda Maximum Daily Dose (Fdamdd)
0.857
Quantitative Estimate Of Drug Likeness（Qed）
0.361