Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 12Ingredient: 1Links: 12
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 43897
- Core Entity Id
- 86908
- Source Entity Count
- 1
- Preferred Name
- Heptenal
- Name En
- Pubchem Id
- 5283316
- Smiles Canonical
- CCCCC=CC=O
- Molecular Formula
- C7H12O
- Molecular Weight
- 112.1900
- Inchikey
- NDFKTBCGKNOHPJ-AATRIKPKSA-N
- Inchi
- InChI=1S/C7H12O/c1-2-3-4-5-6-7-8/h5-7H,2-4H2,1H3/b6-5+
- Isomeric Smiles
- Cas Id
- Ob Score
- 37.1595
- Mol Logp
- 2.1000
- Num H Donors
- 0
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 4
- Drug Likeness
- Polar Surface Area
- 17.1000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Heptenal
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
α-Heptenal
Role
preferred
Source
TCMBank
Preferred
Yes
Name
茶叶
Role
TCM_name
Source
TCMBank
Preferred
No
Name
CHA YE
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Common Tea
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
α-Heptenal茶叶CHA YECommon Tea
Cross References
Trusted external identifiers retained for this final record.
Tcmbank
TCMBANKIN013124
Itcmdb Generated
ITX-INGREDIENT-7078204D4505
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
Version
v1,v2
Ob Score
37.15951183
Suppress
0
Tcm Name
茶叶
Tcm Name2
CHA YE
Mol2 Path
/TCM_database/2007_3d_all/09413.mol2
Reference
6, 1521
Tcm Name En
Common Tea
Molecule Weight
112.19