Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 5766
- Core Entity Id
- 9598
- Source Entity Count
- 1
- Preferred Name
- 4-acetyl-2-methoxy-5-methyltriacontane
- Name En
- Pubchem Id
- Smiles Canonical
- Molecular Formula
- C34H68O2
- Molecular Weight
- 508.5200
- Inchikey
- Inchi
- Isomeric Smiles
- Cas Id
- Ob Score
- 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
4-Acetyl-2-Methoxy-5-Methyltriacontane
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
4-Acetyl-2-Methoxy-5-Methyltriacontane
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
4-Acetyl-2-methoxy-5-methyltriacontane
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
4-acetyl-2-methoxy-5-methyltriacontane
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
4-acetyl-2-methoxy-5-methyltriacontane
Role
preferred
Source
TCMBank
Preferred
Yes
Name
4-acetyl-2-methoxy-5-methyltriacontane
Role
preferred
Source
itcmdb_public
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN010164
Tcmid
464
Sym Map
SMIT21471
Tcmbank
TCMBANKIN040175
Etcm Ingredient
4-Acetyl-2-methoxy-5-methyltriacontane
Itcmdb Generated
ITX-INGREDIENT-081063657858ITX-INGREDIENT-B2B8EA4EC229
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
Version
v2
Suppress
0
Mol2 Path
/TCM_database/2007_3d_all/00464.mol2
Reference
660
Molecular Weight
508.520
Molecular Formula
C34H68O2
Molecular Formula
C34H68O2
Molecular Formula
C34H68O2
Fda Maximum Daily Dose (Fdamdd)
0.011
Quantitative Estimate Of Drug Likeness（Qed）
0.094