Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 22821
- Core Entity Id
- 28551
- Source Entity Count
- 1
- Preferred Name
- Isopalmitic acid
- Name En
- Pubchem Id
- 36247
- Smiles Canonical
- CC(C)CCCCCCCCCCCCC(=O)O
- Molecular Formula
- C16H32O2
- Molecular Weight
- 256.4300
- Inchikey
- ZONJATNKKGGVSU-UHFFFAOYSA-N
- Inchi
- InChI=1S/C16H32O2/c1-15(2)13-11-9-7-5-3-4-6-8-10-12-14-16(17)18/h15H,3-14H2,1-2H3,(H,17,18)
- Isomeric Smiles
- CC(C)CCCCCCCCCCCCC(=O)O
- Cas Id
- 32844-67-0
- 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
ISOPALMITIC ACID
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Isopalmitic Acid
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Isopalmitic acid
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Isopalmitic acid
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
14-Methylpentadecanoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
14-Methylpentadecanoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
14-Methylpentadecanoic acid
Role
alias
Source
TCMBank
Preferred
No
Name
14-methy-pentadecanoic acid
Role
alias
Source
TCMBank
Preferred
No
Name
14-methyl pentadecylic acid
Role
alias
Source
TCMBank
Preferred
No
Name
32844-67-0
Role
alias
Source
TCMBank
Preferred
No
Name
32844-67-0
Role
alias
Source
itcmdb_public
Preferred
No
Name
32844-67-0
Role
alias
Source
HERB_v2
Preferred
No
Name
4669-02-7
Role
alias
Source
TCMBank
Preferred
No
Name
4669-02-7
Role
alias
Source
itcmdb_public
Preferred
No
Name
4669-02-7
Role
alias
Source
HERB_v2
Preferred
No
Name
68199-95-1
Role
alias
Source
TCMBank
Preferred
No
Name
70518-67-1
Role
alias
Source
TCMBank
Preferred
No
Name
EINECS 251-256-7
Role
alias
Source
itcmdb_public
Preferred
No
Name
EINECS 251-256-7
Role
alias
Source
HERB_v2
Preferred
No
Name
EINECS 251-256-7
Role
alias
Source
TCMBank
Preferred
No
Name
IHU3LRR6SX
Role
alias
Source
HERB_v2
Preferred
No
Name
IHU3LRR6SX
Role
alias
Source
itcmdb_public
Preferred
No
Name
Isohexadecanoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
Isohexadecanoic acid
Role
alias
Source
TCMBank
Preferred
No
Name
Isohexadecanoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
LMFA01020010
Role
alias
Source
TCMBank
Preferred
No
Name
M6781_SIGMA
Role
alias
Source
TCMBank
Preferred
No
Name
Pentadecanoic acid, 14-methyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
Pentadecanoic acid, 14-methyl-
Role
alias
Source
TCMBank
Preferred
No
Name
Pentadecanoic acid, 14-methyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
UNII-IHU3LRR6SX
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-IHU3LRR6SX
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
14-Methylpentadecanoic acid14-methy-pentadecanoic acid14-methyl pentadecylic acid32844-67-04669-02-768199-95-170518-67-1EINECS 251-256-7IHU3LRR6SXIsohexadecanoic acidLMFA01020010M6781_SIGMAPentadecanoic acid, 14-methyl-UNII-IHU3LRR6SX
Cross References
Trusted external identifiers retained for this final record.
Cas
32844-67-0
Herb
HBIN031010
Npass
NPC172307
Tcmsp
MOL013001
Sym Map
SMIT13708
Pub Chem
36247
Tcmbank
TCMBANKIN010810
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C16H32O2/c1-15(2)13-11-9-7-5-3-4-6-8-10-12-14-16(17)18/h15H,3-14H2,1-2H3,(H,17,18)
Mol Wt
256.4299999999999
Cas Id
32844-67-0
Smiles
CC(C)CCCCCCCCCCCCC(=O)O
Mol Log P
5.408200000000004
Version
v1,v2
In Ch Ikey
ZONJATNKKGGVSU-UHFFFAOYSA-N
Ob Score
24.13724.137372924.137373
Suppress
0
Num Hdonors
1
Drug Likeness
0.447
Num Hacceptors
1
Isomeric Smiles
CC(C)CCCCCCCCCCCCC(=O)O
Molecule Weight
256.48
Canonical Smiles
CC(C)CCCCCCCCCCCCC(=O)O
Herb Alias Names
14-Methylpentadecanoic acidIsohexadecanoic acid4669-02-732844-67-0Pentadecanoic acid, 14-methyl-IHU3LRR6SX14-methyl-pentadecanoic acidUNII-IHU3LRR6SXEINECS 251-256-7
Molecular Weight
256.42 g/mol
Molecular Formula
C16H32O2
Molecular Formula
C16H32O2
Num Rotatable Bonds
13