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
- 41321
- Core Entity Id
- 84332
- Source Entity Count
- 1
- Preferred Name
- kaempferol-3-rhamno-4'-xyloside
- Name En
- Pubchem Id
- 14334872
- Smiles Canonical
- CC1OC(Oc2cc(O)c3c(=O)c(OC4OCC(O)C(O)C4O)c(-c4ccc(O)cc4)oc3c2)C(O)C(O)C1O
- Molecular Formula
- C26H28O14
- Molecular Weight
- 564.1500
- Inchikey
- DQBVFTJNUYZVQL-UHFFFAOYSA-N
- Inchi
- InChI=1S/C26H28O14/c1-9-17(30)20(33)22(35)26(37-9)38-12-6-13(28)16-15(7-12)39-23(10-2-4-11(27)5-3-10)24(19(16)32)40-25-21(34)18(31)14(29)8-36-25/h2-7,9,14,17-18,20-22,25-31,33-35H,8H2,1H3
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- -0.5000
- Num H Donors
- 8
- Num H Acceptors
- 14
- Num Rotatable Bonds
- 5
- Drug Likeness
- Polar Surface Area
- 225.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Kaempferol-3-rhamno-4'-xyloside
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Kaempferol-3-rhamno-4'-xyloside
Role
preferred
Source
TCMBank
Preferred
Yes
Name
土荆芥
Role
TCM_name
Source
TCMBank
Preferred
No
Name
TU JING JIE
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Mexican Tea
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
土荆芥TU JING JIEMexican Tea
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN031929
Tcmbank
TCMBANKIN004186TCMBANKIN060168
Etcm Ingredient
Kaempferol-3-rhamno-4'-xyloside
Itcmdb Generated
ITX-INGREDIENT-06AFDA2E36E4ITX-INGREDIENT-2ED73B11E40F
Attributes
Merged source attributes and domain-specific metadata.
Smiles
CC1C(C(C(C(O1)OC2=CC(=C3C(=C2)OC(=C(C3=O)OC4C(C(C(CO4)O)O)O)C5=CC=C(C=C5)O)O)O)O)O
Tcm Name
土荆芥
Tcm Name2
TU JING JIE
Mol2 Path
/TCM_database/2007_3d_all/12091.mol2
Reference
660
Tcm Name En
Mexican Tea
Molecular Weight
564.150
Molecular Formula
C26H28O14
Molecular Formula
C26H28O14
Fda Maximum Daily Dose (Fdamdd)
0.017
Quantitative Estimate Of Drug Likeness（Qed）
0.184