Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Ingredient: 1Target: 2Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 52475
- Core Entity Id
- 95486
- Source Entity Count
- 1
- Preferred Name
- Yuanhuadin
- Name En
- Pubchem Id
- 6440572
- Smiles Canonical
- CCCCCC=CC=CC12OC3C4C5C(O5)(C(C6(C(C4(O1)C(C(C3(O2)C(=C)C)OC(=O)C)C)C=C(C6=O)C)O)O)CO
- Molecular Formula
- C32H42O10
- Molecular Weight
- 586.2800
- Inchikey
- NHELFTYSELEEFD-SVAWBNMMSA-N
- Inchi
- InChI=1S/C32H42O10/c1-7-8-9-10-11-12-13-14-29-40-26-22-25-28(16-33,39-25)27(36)30(37)21(15-18(4)23(30)35)32(22,42-29)19(5)24(38-20(6)34)31(26,41-29)17(2)3/h11-15,19,21-22,24-27,33,36-37H,2,7-10,16H2,1,3-6H3/b12-11+,14-13+/t19-,21-,22+,24-,25+,26-,27-,28+,29-,30-,31+,32+/m1/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 3.2000
- Num H Donors
- 3
- Num H Acceptors
- 10
- Num Rotatable Bonds
- 10
- Drug Likeness
- Polar Surface Area
- 144.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Yuanhuadin
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Yuanhuadin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Yuanhuadin
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
芫花根
Role
TCM_name
Source
TCMBank
Preferred
No
Name
YUAN HUA GEN
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Lilac Daphne Root
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
芫花根YUAN HUA GENLilac Daphne Root
Cross References
Trusted external identifiers retained for this final record.
Tcmbank
TCMBANKIN045895
Etcm Ingredient
Yuanhuadin
Itcmdb Generated
ITX-INGREDIENT-0FE6448DD46CITX-INGREDIENT-59A007DF4707
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
Version
v1,v2
Suppress
0
Tcm Name
芫花根
Tcm Name2
YUAN HUA GEN
Mol2 Path
/TCM_database/2007_3d_all/22930.mol2
Reference
660
Tcm Name En
Lilac Daphne Root
Molecular Weight
586.280
Molecular Formula
C32H42O10
Fda Maximum Daily Dose (Fdamdd)
0.973
Quantitative Estimate Of Drug Likeness（Qed）
0.121