Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 11Links: 14
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 38629
- Core Entity Id
- 66456
- Source Entity Count
- 1
- Preferred Name
- 14-pentadecenoic acid
- Name En
- Pubchem Id
- 543854
- Smiles Canonical
- C=CCCCCCCCCCCCCC(=O)O
- Molecular Formula
- C15H28O2
- Molecular Weight
- 240.3870
- Inchikey
- CAHZYAQCDBBLER-UHFFFAOYSA-N
- Inchi
- InChI=1S/C15H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h2H,1,3-14H2,(H,16,17)
- Isomeric Smiles
- C=CCCCCCCCCCCCCC(=O)O
- Cas Id
- 17351-34-7
- Ob Score
- 36.3870
- Mol Logp
- 4.9382
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 13
- Drug Likeness
- 0.3660
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
14-Pentadecenoic Acid
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
14-Pentadecenoic Acid
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
14-pentadecenoic acid
Role
preferred
Source
TCMBank
Preferred
Yes
Name
14-pentadecenoic acid
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
14-pentadecenoic acid
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
14-pentadecenoic acid
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
14-PENTADECENOICACID
Role
alias
Source
HERB_v2
Preferred
No
Name
14-PENTADECENOICACID
Role
alias
Source
itcmdb_public
Preferred
No
Name
17351-34-7
Role
alias
Source
HERB_v2
Preferred
No
Name
17351-34-7
Role
alias
Source
itcmdb_public
Preferred
No
Name
C15:1n-1
Role
alias
Source
HERB_v2
Preferred
No
Name
C15:1n-1
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXCID20288742
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXCID20288742
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID90337655
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID90337655
Role
alias
Source
itcmdb_public
Preferred
No
Name
LMFA01030053
Role
alias
Source
TCMBank
Preferred
No
Name
MFCD00216550
Role
alias
Source
HERB_v2
Preferred
No
Name
MFCD00216550
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL3125180
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL3125180
Role
alias
Source
itcmdb_public
Preferred
No
Name
pentadec-14-enoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
pentadec-14-enoic acid
Role
alias
Source
TCMBank
Preferred
No
Name
pentadec-14-enoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
14-PENTADECENOICACID17351-34-7C15:1n-1DTXCID20288742DTXSID90337655LMFA01030053MFCD00216550SCHEMBL3125180pentadec-14-enoic acid
Cross References
Trusted external identifiers retained for this final record.
Cas
17351-34-7
Herb
HBIN001545
Tcmsp
MOL007515
Sym Map
SMIT08930
Pub Chem
543854
Tcmbank
TCMBANKIN020787
Etcm Ingredient
14-pentadecenoic acid
Itcmdb Generated
ITX-INGREDIENT-A0AA3803267E
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C15H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h2H,1,3-14H2,(H,16,17)
Mol Wt
240.3869999999999
Cas Id
17351-34-7
Smiles
C=CCCCCCCCCCCCCC(=O)O
Mol Log P
4.938200000000004
Version
v1,v2
In Ch Ikey
CAHZYAQCDBBLER-UHFFFAOYSA-N
Ob Score
36.38736.38731436.38731413
Suppress
0
Num Hdonors
1
Drug Likeness
0.366
Num Hacceptors
1
Isomeric Smiles
C=CCCCCCCCCCCCCC(=O)O
Molecule Weight
240.43
Canonical Smiles
C=CCCCCCCCCCCCCC(=O)O
Herb Alias Names
pentadec-14-enoic acid17351-34-714-PENTADECENOICACIDC15:1n-1DTXSID90337655MFCD00216550pentadec-14-enoicacidSCHEMBL3125180DTXCID20288742
Molecular Weight
240.210
Molecular Weight
240.38
Molecular Formula
C15H28O2
Molecular Formula
C15H28O2
Molecular Formula
C15H28O2
Num Rotatable Bonds
13
Fda Maximum Daily Dose (Fdamdd)
0.023
Quantitative Estimate Of Drug Likeness（Qed）
0.366