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
- 2016
- Core Entity Id
- 5430
- Source Entity Count
- 1
- Preferred Name
- 2-hydroxy-hexadecanoic acid
- Name En
- Pubchem Id
- 92836
- Smiles Canonical
- CCCCCCCCCCCCCCC(C(=O)O)O
- Molecular Formula
- C16H32O3
- Molecular Weight
- 272.4290
- Inchikey
- JGHSBPIZNUXPLA-UHFFFAOYSA-N
- Inchi
- InChI=1S/C16H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(17)16(18)19/h15,17H,2-14H2,1H3,(H,18,19)
- Isomeric Smiles
- CCCCCCCCCCCCCCC(C(=O)O)O
- Cas Id
- 10067-06-8
- Ob Score
- 22.6188
- Mol Logp
- 4.5231
- Num H Donors
- 2
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 14
- Drug Likeness
- 0.4570
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2-Hydroxy-Hexadecanoic Acid
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
2-Hydroxy-Hexadecanoic Acid
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
2-Hydroxy-hexadecanoic acid
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2-Hydroxyhexadecanoic acid
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
2-hydroxy-hexadecanoic acid
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
2-hydroxy-hexadecanoic acid
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
.alpha.-Hydroxypalmitic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
.alpha.-Hydroxypalmitic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
10067-06-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
10067-06-8
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Hydroxyhexadecanoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Hydroxyhexadecanoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Hydroxypalmitic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Hydroxypalmitic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
764-67-0
Role
alias
Source
HERB_v2
Preferred
No
Name
764-67-0
Role
alias
Source
itcmdb_public
Preferred
No
Name
DL-alpha-Hydroxypalmitic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
DL-alpha-Hydroxypalmitic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
Hexadecanoic acid, 2-hydroxy-
Role
alias
Source
HERB_v2
Preferred
No
Name
Hexadecanoic acid, 2-hydroxy-
Role
alias
Source
itcmdb_public
Preferred
No
Name
MFCD00014343
Role
alias
Source
itcmdb_public
Preferred
No
Name
MFCD00014343
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
2-Hydroxyhexadecanoic acid.alpha.-Hydroxypalmitic acid10067-06-82-Hydroxypalmitic acid764-67-0DL-alpha-Hydroxypalmitic acidHexadecanoic acid, 2-hydroxy-MFCD00014343
Cross References
Trusted external identifiers retained for this final record.
Cas
10067-06-8
Herb
HBIN005803
Tcmsp
MOL010926
Sym Map
SMIT11890
Pub Chem
92836
Tcmbank
TCMBANKIN023692
Etcm Ingredient
2-Hydroxyhexadecanoic acid
Itcmdb Generated
ITX-INGREDIENT-9C574BBE7685
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C16H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(17)16(18)19/h15,17H,2-14H2,1H3,(H,18,19)
Mol Wt
272.4289999999999
Cas Id
10067-06-8
Smiles
CCCCCCCCCCCCCCC(C(=O)O)O
Mol Log P
4.523100000000004
Version
v1,v2
In Ch Ikey
JGHSBPIZNUXPLA-UHFFFAOYSA-N
Ob Score
22.6188228922.61882322.619
Suppress
0
Num Hdonors
2
Drug Likeness
0.457
Num Hacceptors
2
Isomeric Smiles
CCCCCCCCCCCCCCC(C(=O)O)O
Molecule Weight
272.48
Canonical Smiles
CCCCCCCCCCCCCCC(C(=O)O)O
Herb Alias Names
2-Hydroxyhexadecanoic acid2-Hydroxypalmitic acid764-67-010067-06-8DL-alpha-Hydroxypalmitic acidHexadecanoic acid, 2-hydroxy-2-hydroxy palmitic acidMFCD00014343.alpha.-Hydroxypalmitic acid
Molecular Weight
272.240
Molecular Weight
272.42
Molecular Formula
C16H32O3
Molecular Formula
C16H32O3
Molecular Formula
C16H32O3
Num Rotatable Bonds
14
Fda Maximum Daily Dose (Fdamdd)
0.305
Quantitative Estimate Of Drug Likeness（Qed）
0.372