Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
Click a node to open it in a new tab
Herb: 2Ingredient: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 4755
- Core Entity Id
- 8477
- Source Entity Count
- 1
- Preferred Name
- 3-o-(2,3-dimethylbutanoyl)-13-o-dodecanoyl-20-acetylingenol
- Name En
- Pubchem Id
- Smiles Canonical
- Molecular Formula
- C40H62O9
- Molecular Weight
- 686.4400
- Inchikey
- Inchi
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- Num H Donors
- Num H Acceptors
- Num Rotatable Bonds
- Drug Likeness
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
3-O-(2,3-Dimethylbutanoyl)-13-O-Dodecanoyl-20-Acetylingenol
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
3-O-(2,3-Dimethylbutanoyl)-13-O-Dodecanoyl-20-Acetylingenol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
3-O-(2,3-Dimethylbutanoyl)-13-O-dodecanoyl-20-acetylingenol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
3-o-(2,3-dimethylbutanoyl)-13-o-dodecanoyl-20-acetylingenol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
3-o-(2,3-dimethylbutanoyl)-13-o-dodecanoyl-20-acetylingenol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
3-o-(2,3-dimethylbutanoyl)-13-o-dodecanoyl-20-acetylingenol
Role
preferred
Source
HERB_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN008991
Tcmid
6322
Sym Map
SMIT15158
Tcmbank
TCMBANKIN047454
Etcm Ingredient
3-O-(2,3-Dimethylbutanoyl)-13-O-dodecanoyl-20-acetylingenol
Itcmdb Generated
ITX-INGREDIENT-C5F053A31539
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
Version
v1,v2
Suppress
0
Mol2 Path
/TCM_database/2007_3d_all/06323.mol2
Reference
4368
Molecular Weight
686.440
Molecule Formula
C40H62O9
Molecular Formula
C40H62O9
Molecular Formula
C40H62O9
Molecular Formula
C40H62O9
Fda Maximum Daily Dose (Fdamdd)
0.855
Quantitative Estimate Of Drug Likeness（Qed）
0.078