Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 3Ingredient: 1Target: 16Links: 19
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 38106
- Core Entity Id
- 61908
- Source Entity Count
- 1
- Preferred Name
- 12-methyl tetradecanoicacid
- Name En
- Pubchem Id
- 21672
- Smiles Canonical
- CCC(C)CCCCCCCCCCC(=O)O
- Molecular Formula
- C15H30O2
- Molecular Weight
- 242.4030
- Inchikey
- XKLJLHAPJBUBNL-UHFFFAOYSA-N
- Inchi
- InChI=1S/C15H30O2/c1-3-14(2)12-10-8-6-4-5-7-9-11-13-15(16)17/h14H,3-13H2,1-2H3,(H,16,17)
- Isomeric Smiles
- CCC(C)CCCCCCCCCCC(=O)O
- Cas Id
- Ob Score
- Mol Logp
- 5.0181
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 12
- Drug Likeness
- 0.4880
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
12-Methyl Tetradecanoicacid
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
12-Methyl tetradecanoic acid
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
12-methyl tetradecanoicacid
Role
preferred
Source
TCMBank
Preferred
Yes
Name
12-methyl tetradecanoicacid
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
12-methyl tetradecanoicacid
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
12-MTA
Role
alias
Source
itcmdb_public
Preferred
No
Name
12-MTA
Role
alias
Source
HERB_v2
Preferred
No
Name
12-Methyltetradecanoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
12-methyl myristic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
12-methyl myristic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
12-methyl tetradecanoic acid
Role
alias
Source
TCMBank
Preferred
No
Name
12-methyl-tetradecanoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
5502-94-3
Role
alias
Source
HERB_v2
Preferred
No
Name
5502-94-3
Role
alias
Source
itcmdb_public
Preferred
No
Name
ANTEISOPENTADECANOIC ACID
Role
alias
Source
HERB_v2
Preferred
No
Name
ANTEISOPENTADECANOIC ACID
Role
alias
Source
itcmdb_public
Preferred
No
Name
Aseanostatin P5
Role
alias
Source
HERB_v2
Preferred
No
Name
Aseanostatin P5
Role
alias
Source
itcmdb_public
Preferred
No
Name
Sarcinic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
Sarcinic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
anteiso-C15:0
Role
alias
Source
HERB_v2
Preferred
No
Name
anteiso-C15:0
Role
alias
Source
itcmdb_public
Preferred
No
Name
methyl myristic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
methyl myristic acid
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
12-Methyl tetradecanoic acid12-MTA12-Methyltetradecanoic acid12-methyl myristic acid12-methyl-tetradecanoic acid5502-94-3ANTEISOPENTADECANOIC ACIDAseanostatin P5Sarcinic acidanteiso-C15:0methyl myristic acid
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN000906
Npass
NPC314679
Tcmid
1473431676
Sym Map
SMIT16715
Pub Chem
21672
Tcmbank
TCMBANKIN000377
Etcm Ingredient
12-Methyl tetradecanoic acid
Itcmdb Generated
ITX-INGREDIENT-F02AC0079FAB
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C15H30O2/c1-3-14(2)12-10-8-6-4-5-7-9-11-13-15(16)17/h14H,3-13H2,1-2H3,(H,16,17)
Mol Wt
242.4029999999999
Smiles
CCC(C)CCCCCCCCCCC(=O)O
Mol Log P
5.018100000000004
Version
v1,v2
In Ch Ikey
XKLJLHAPJBUBNL-UHFFFAOYSA-N
Suppress
0
Num Hdonors
1
Drug Likeness
0.488
Num Hacceptors
1
Isomeric Smiles
CCC(C)CCCCCCCCCCC(=O)O
Canonical Smiles
CCC(C)CCCCCCCCCCC(=O)O
Herb Alias Names
12-Methyltetradecanoic acid5502-94-3Sarcinic acidAseanostatin P5ANTEISOPENTADECANOIC ACID12-methyl myristic acid12-methyl-tetradecanoic acidmethyl myristic acid12-MTAanteiso-C15:0
Molecular Weight
242.220
Molecular Weight
242.4 g/mol
Molecular Formula
C15H30O2
Molecular Formula
C15H30O2
Molecular Formula
C15H30O2
Num Rotatable Bonds
12
Fda Maximum Daily Dose (Fdamdd)
0.025
Quantitative Estimate Of Drug Likeness（Qed）
0.488