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
- 17887
- Core Entity Id
- 23055
- Source Entity Count
- 1
- Preferred Name
- E-dimethylrhoifolinate
- Name En
- Pubchem Id
- 101683775
- Smiles Canonical
- COC1=C2C=COC2=NC(=C1C=CC(=O)OC)C(=O)OC
- Molecular Formula
- C14H13NO6
- Molecular Weight
- 291.2590
- Inchikey
- HODFEXOSNGLWSD-SNAWJCMRSA-N
- Inchi
- InChI=1S/C14H13NO6/c1-18-10(16)5-4-8-11(14(17)20-3)15-13-9(6-7-21-13)12(8)19-2/h4-7H,1-3H3/b5-4+
- Isomeric Smiles
- COC1=C2C=COC2=NC(=C1/C=C/C(=O)OC)C(=O)OC
- Cas Id
- Ob Score
- Mol Logp
- 1.8092
- Num H Donors
- 0
- Num H Acceptors
- 7
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.6270
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
E-Dimethyl rhoifolinate
Role
preferred
Source
TCMBank
Preferred
Yes
Name
E-dimethylrhoifolinate
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
E-dimethylrhoifolinate
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
似肉托果叶蜜茱萸
Role
TCM_name
Source
TCMBank
Preferred
No
Name
SI ROU TUO GUO YE MI ZHU YU
Role
TCM_name2
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
E-Dimethyl rhoifolinate似肉托果叶蜜茱萸SI ROU TUO GUO YE MI ZHU YU
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN024852
Tcmid
64036404
Pub Chem
101683775
Tcmbank
TCMBANKIN012722
Itcmdb Generated
ITX-INGREDIENT-460C483D8B7F
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C14H13NO6/c1-18-10(16)5-4-8-11(14(17)20-3)15-13-9(6-7-21-13)12(8)19-2/h4-7H,1-3H3/b5-4+
Mol Wt
291.259
Mol Log P
1.8092
In Ch Ikey
HODFEXOSNGLWSD-SNAWJCMRSA-N
Tcm Name
似肉托果叶蜜茱萸
Tcm Name2
SI ROU TUO GUO YE MI ZHU YU
Mol2 Path
/TCM_database/2007_3d_all/06404.mol2
Reference
5405
Num Hdonors
0
Drug Likeness
0.627
Num Hacceptors
7
Isomeric Smiles
COC1=C2C=COC2=NC(=C1/C=C/C(=O)OC)C(=O)OC
Canonical Smiles
COC1=C2C=COC2=NC(=C1C=CC(=O)OC)C(=O)OC
Molecular Formula
C14H13NO6
Num Rotatable Bonds
4