Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Target: 12Links: 14
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 7217
- Core Entity Id
- 11204
- Source Entity Count
- 1
- Preferred Name
- Danshenspiroketallactoneii
- Name En
- Pubchem Id
- Smiles Canonical
- Molecular Formula
- C17H16O3114
- Molecular Weight
- 286.4000
- Inchikey
- Inchi
- Isomeric Smiles
- Cas Id
- Ob Score
- 19.8857
- 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
Danshenspiroketallactoneii
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Danshenspiroketallactoneii
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Danshenspiroketallactoneii
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Danshenspiroketallactoneii
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
danshenspiroketallactoneii
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
danshenspiroketallactoneii
Role
preferred
Source
TCMBank
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN022649
Tcmid
4628
Tcmsp
MOL007095
Sym Map
SMIT01103
Tcmbank
TCMBANKIN006917
Etcm Ingredient
danshenspiroketallactoneii
Itcmdb Generated
ITX-INGREDIENT-475A21AED0E6
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
Version
v1,v2
Ob Score
19.8856595619.8856619.886
Suppress
0
Molecule Weight
286.4
Molecular Weight
286.160
Molecular Weight
286.4
Molecule Formula
C17H16O3114
Molecular Formula
C18H22O3
Molecular Formula
C17H16O3114
Molecular Formula
C17H16O3114
Fda Maximum Daily Dose (Fdamdd)
0.932
Quantitative Estimate Of Drug Likeness（Qed）
0.682