Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 6Ingredient: 1Links: 6
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 28312
- Core Entity Id
- 34656
- Source Entity Count
- 1
- Preferred Name
- Officinalisin
- Name En
- Pubchem Id
- 154154
- Smiles Canonical
- Molecular Formula
- C11H20O6
- Molecular Weight
- 248.2700
- Inchikey
- SMNKEUVRHNWHAI-UHFFFAOYSA-N
- Inchi
- InChI=1S/C11H20O6/c1-2-3-4-16-11-9(15)10(11,6-12)8(14)7(13)5-17-11/h7-9,12-15H,2-6H2,1H3
- Isomeric Smiles
- Cas Id
- 209170-24-1
- Ob Score
- 11.2280
- Mol Logp
- -1.2000
- Num H Donors
- 4
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 5
- Drug Likeness
- Polar Surface Area
- 99.4000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Officinalisin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Officinalisin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Officinalisin
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Officinalisin
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
officinalisin
Role
preferred
Source
TCMBank
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Cas
209170-24-1
Herb
HBIN037866
Tcmid
16004
Tcmsp
MOL009270MOL009561
Sym Map
SMIT00755
Tcm Id
2140
Tcmbank
TCMBANKIN023856
Etcm Ingredient
Officinalisin
Itcmdb Generated
ITX-INGREDIENT-A9E6C49D281E
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
Cas Id
209170-24-1
Version
v1,v2
Ob Score
11.22811.2284549311.228455
Suppress
0
Molecule Weight
248.31
Molecular Weight
248.130
Molecular Weight
248.27
Molecule Formula
C11H20O6
Molecular Formula
C11H20O6
Molecular Formula
C11H20O6
Molecular Formula
C11H20O6
Fda Maximum Daily Dose (Fdamdd)
0.892
Quantitative Estimate Of Drug Likeness（Qed）
0.447