Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 51220
- Core Entity Id
- 94231
- Source Entity Count
- 1
- Preferred Name
- 1-Octacosanol
- Name En
- Pubchem Id
- 68406
- Smiles Canonical
- CCCCCCCCCCCCCCCCCCCCCCCCCCCCO
- Molecular Formula
- C28H58O
- Molecular Weight
- 410.4500
- Inchikey
- CNNRPFQICPFDPO-UHFFFAOYSA-N
- Inchi
- InChI=1S/C28H58O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29/h29H,2-28H2,1H3
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 13.8000
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 26
- Drug Likeness
- Polar Surface Area
- 20.2000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
1-Octacosanol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
1-Octacosanol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
1-octacosanol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
香茅
Role
TCM_name
Source
TCMBank
Preferred
No
Name
XIANG MAO
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Lemongrass
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
香茅XIANG MAOLemongrass
Cross References
Trusted external identifiers retained for this final record.
Tcmbank
TCMBANKIN037646
Etcm Ingredient
1-octacosanol
Itcmdb Generated
ITX-INGREDIENT-5A182DA7C929ITX-INGREDIENT-67A8F8D9A9DF
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
Version
v1,v2
Suppress
0
Tcm Name
香茅
Tcm Name2
XIANG MAO
Mol2 Path
/TCM_database/2007_3d_all/15935.mol2
Reference
2,503, 519, 660, 1521
Tcm Name En
Lemongrass
Molecular Weight
410.450
Molecular Formula
C28H58O
Fda Maximum Daily Dose (Fdamdd)
0.019
Quantitative Estimate Of Drug Likeness（Qed）
0.141