Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 8Ingredient: 1Target: 2Links: 10
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 52516
- Core Entity Id
- 95527
- Source Entity Count
- 1
- Preferred Name
- 2-Tridecanone
- Name En
- Pubchem Id
- 11622
- Smiles Canonical
- CCCCCCCCCCCC(=O)C
- Molecular Formula
- C13H26O
- Molecular Weight
- 198.2000
- Inchikey
- CYIFVRUOHKNECG-UHFFFAOYSA-N
- Inchi
- InChI=1S/C13H26O/c1-3-4-5-6-7-8-9-10-11-12-13(2)14/h3-12H2,1-2H3
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 5.2000
- Num H Donors
- 0
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 10
- Drug Likeness
- Polar Surface Area
- 17.1000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2-Tridecanone
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
2-Tridecanone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2-tridecanone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
烟草
Role
TCM_name
Source
TCMBank
Preferred
No
Name
YAN CAO
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Common Tobacco
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
烟草YAN CAOCommon Tobacco
Cross References
Trusted external identifiers retained for this final record.
Tcmbank
TCMBANKIN046129
Etcm Ingredient
2-tridecanone
Itcmdb Generated
ITX-INGREDIENT-93308210E500ITX-INGREDIENT-DA0A664F2497
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
Version
v1,v2
Suppress
0
Tcm Name
烟草
Tcm Name2
YAN CAO
Mol2 Path
/TCM_database/2007_3d_all/21612.mol2
Reference
660
Tcm Name En
Common Tobacco
Molecular Weight
198.200
Molecular Formula
C13H26O
Fda Maximum Daily Dose (Fdamdd)
0.029
Quantitative Estimate Of Drug Likeness（Qed）
0.472