Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
Click a node to open it in a new tab
Herb: 7Ingredient: 1Target: 3Links: 13
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 38402
- Core Entity Id
- 64412
- Source Entity Count
- 1
- Preferred Name
- 13-methyl pentadecanoic acid
- Name En
- Pubchem Id
- 146501
- Smiles Canonical
- CCC(C)CCCCCCCCCCCC(=O)O
- Molecular Formula
- C16H32O2
- Molecular Weight
- 256.4300
- Inchikey
- WWASUAHHCLARMF-UHFFFAOYSA-N
- Inchi
- InChI=1S/C16H32O2/c1-3-15(2)13-11-9-7-5-4-6-8-10-12-14-16(17)18/h15H,3-14H2,1-2H3,(H,17,18)
- Isomeric Smiles
- CCC(C)CCCCCCCCCCCC(=O)O
- Cas Id
- 20121-96-4
- Ob Score
- 24.1370
- Mol Logp
- 5.4082
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 13
- Drug Likeness
- 0.4470
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
13-Methyl Pentadecanoic Acid
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
13-Methyl pentadecanoic acid
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
13-Methyl pentadecanoic acid
Role
preferred
Source
TCMBank
Preferred
Yes
Name
13-methyl pentadecanoic acid
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
13-methyl pentadecanoic acid
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
13-methyl-pentadecanoic acid
Role
alias
Source
TCMBank
Preferred
No
Name
13-methylpentadecanoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
13-methylpentadecanoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
20121-96-4
Role
alias
Source
HERB_v2
Preferred
No
Name
20121-96-4
Role
alias
Source
TCMBank
Preferred
No
Name
20121-96-4
Role
alias
Source
itcmdb_public
Preferred
No
Name
AC1L3TC5
Role
alias
Source
TCMBank
Preferred
No
Name
ACM20121964
Role
alias
Source
TCMBank
Preferred
No
Name
Anteisohexa-decanoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
Anteisohexa-decanoic acid
Role
alias
Source
TCMBank
Preferred
No
Name
Anteisohexa-decanoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
Anteisopalmitic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
Anteisopalmitic acid
Role
alias
Source
TCMBank
Preferred
No
Name
Anteisopalmitic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
C15:0-13-methyl
Role
alias
Source
HERB_v2
Preferred
No
Name
C15:0-13-methyl
Role
alias
Source
TCMBank
Preferred
No
Name
C15:0-13-methyl
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:131414
Role
alias
Source
TCMBank
Preferred
No
Name
CTK8H4972
Role
alias
Source
TCMBank
Preferred
No
Name
DTXSID80942151
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID80942151
Role
alias
Source
itcmdb_public
Preferred
No
Name
LMFA01020192
Role
alias
Source
TCMBank
Preferred
No
Name
Pentadecanoic acid, 13-methyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
Pentadecanoic acid, 13-methyl-
Role
alias
Source
TCMBank
Preferred
No
Name
Pentadecanoic acid, 13-methyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL1476973
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL1476973
Role
alias
Source
TCMBank
Preferred
No
Name
SCHEMBL1476973
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
13-methyl-pentadecanoic acid13-methylpentadecanoic acid20121-96-4AC1L3TC5ACM20121964Anteisohexa-decanoic acidAnteisopalmitic acidC15:0-13-methylCHEBI:131414CTK8H4972DTXSID80942151LMFA01020192Pentadecanoic acid, 13-methyl-SCHEMBL1476973
Cross References
Trusted external identifiers retained for this final record.
Cas
20121-96-4
Herb
HBIN001263
Npass
NPC19756
Tcmid
1464830339
Tcmsp
MOL008376
Sym Map
SMIT01064SMIT16690
Pub Chem
146501
Tcmbank
TCMBANKIN021713
Etcm Ingredient
13-Methyl pentadecanoic acid
Itcmdb Generated
ITX-INGREDIENT-E5D08B7CF86D
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C16H32O2/c1-3-15(2)13-11-9-7-5-4-6-8-10-12-14-16(17)18/h15H,3-14H2,1-2H3,(H,17,18)
Mol Wt
256.4299999999999
Cas Id
20121-96-4
Smiles
CCC(C)CCCCCCCCCCCC(=O)O
Mol Log P
5.408200000000004
Version
v1,v2
In Ch Ikey
WWASUAHHCLARMF-UHFFFAOYSA-N
Ob Score
24.13724.137372924.137373
Suppress
0
Num Hdonors
1
Drug Likeness
0.447
Num Hacceptors
1
Isomeric Smiles
CCC(C)CCCCCCCCCCCC(=O)O
Molecule Weight
256.48
Canonical Smiles
CCC(C)CCCCCCCCCCCC(=O)O
Herb Alias Names
13-methylpentadecanoic acid20121-96-4Anteisopalmitic acidAnteisohexa-decanoic acid13-methyl-pentadecanoic acidPentadecanoic acid, 13-methyl-13-METHYLPENTADECANOICACIDC15:0-13-methylSCHEMBL1476973DTXSID80942151
Molecular Weight
256.240
Molecular Weight
256.42
Molecule Formula
C16H32O2
Molecular Formula
C16H32O2
Molecular Formula
C16H32O2
Molecular Formula
C16H32O2
Num Rotatable Bonds
13
Fda Maximum Daily Dose (Fdamdd)
0.024
Quantitative Estimate Of Drug Likeness（Qed）
0.447