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
- 48590
- Core Entity Id
- 91601
- Source Entity Count
- 1
- Preferred Name
- (2E)-2-Ethyl-2-Nonacosenal
- Name En
- Pubchem Id
- 78384869
- Smiles Canonical
- CCCCCCCCCCCCCCCCCCCCCCCCCCC=C(C=O)CC
- Molecular Formula
- C31H60O
- Molecular Weight
- 448.4600
- Inchikey
- OGSVWBDEBNOQIG-UHFFFAOYSA-N
- Inchi
- InChI=1S/C31H60O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-31(4-2)30-32/h29-30H,3-28H2,1-2H3
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 14.8000
- Num H Donors
- 0
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 27
- Drug Likeness
- Polar Surface Area
- 17.1000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(2E)-2-Ethyl-2-Nonacosenal
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
(2E)-2-Ethyl-2-nonacosenal
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
(2e)-2-ethyl-2-nonacosenal
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(E)-2-ethylnonacos-2-enal
Role
alias
Source
TCMBank
Preferred
No
Name
AC1NSV1E
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(E)-2-ethylnonacos-2-enalAC1NSV1E
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN005545
Tcmid
30936
Tcmbank
TCMBANKIN028934
Etcm Ingredient
(2E)-2-Ethyl-2-nonacosenal
Itcmdb Generated
ITX-INGREDIENT-9430F5F69A9D
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
Smiles
CCCCCCCCCCCCCCCCCCCCCCCCCCC=C(CC)C=O
Version
v1,v2
Suppress
0
Molecular Weight
448.460
Molecular Formula
C31H60O
Fda Maximum Daily Dose (Fdamdd)
0.231
Quantitative Estimate Of Drug Likeness（Qed）
0.069