Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 2015
- Core Entity Id
- 5429
- Source Entity Count
- 1
- Preferred Name
- 2-hydroxyhexaco sanoic acid
- Name En
- Pubchem Id
- 85692
- Smiles Canonical
- CCCCCCCCCCCCCCCCCCCCCCCCC(C(=O)O)O
- Molecular Formula
- C26H52O3
- Molecular Weight
- 412.6990
- Inchikey
- IFYDZTDBJZWEPK-UHFFFAOYSA-N
- Inchi
- InChI=1S/C26H52O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(27)26(28)29/h25,27H,2-24H2,1H3,(H,28,29)
- Isomeric Smiles
- CCCCCCCCCCCCCCCCCCCCCCCCC(C(=O)O)O
- Cas Id
- Ob Score
- Mol Logp
- 8.4241
- Num H Donors
- 2
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 24
- Drug Likeness
- 0.1560
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2-hydroxyhexaco sanoic acid
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
2-hydroxyhexaco sanoic acid
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
2-hydroxyhexaco sanoic acid
Role
preferred
Source
TCMBank
Preferred
Yes
Name
14176-13-7
Role
alias
Source
itcmdb_public
Preferred
No
Name
14176-13-7
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Hydroxyhexacosanoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
2-hydroxy-hexacosanoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-hydroxycerotic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
2-hydroxycerotic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:76986
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:76986
Role
alias
Source
itcmdb_public
Preferred
No
Name
EINECS 238-029-8
Role
alias
Source
HERB_v2
Preferred
No
Name
EINECS 238-029-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
Hexacosanoic acid, 2-hydroxy-
Role
alias
Source
HERB_v2
Preferred
No
Name
Hexacosanoic acid, 2-hydroxy-
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL337352
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL337352
Role
alias
Source
itcmdb_public
Preferred
No
Name
alpha-hydroxycerotic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
alpha-hydroxycerotic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
alpha-hydroxyhexacosanoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
alpha-hydroxyhexacosanoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
14176-13-72-Hydroxyhexacosanoic acid2-hydroxy-hexacosanoic acid2-hydroxycerotic acidCHEBI:76986EINECS 238-029-8Hexacosanoic acid, 2-hydroxy-SCHEMBL337352alpha-hydroxycerotic acidalpha-hydroxyhexacosanoic acid
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN005802
Tcmid
38771
Pub Chem
85692
Tcmbank
TCMBANKIN036593
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C26H52O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(27)26(28)29/h25,27H,2-24H2,1H3,(H,28,29)
Mol Wt
412.6990000000002
Smiles
CCCCCCCCCCCCCCCCCCCCCCCCC(C(=O)O)O
Mol Log P
8.424100000000006
In Ch Ikey
IFYDZTDBJZWEPK-UHFFFAOYSA-N
Num Hdonors
2
Drug Likeness
0.156
Num Hacceptors
2
Isomeric Smiles
CCCCCCCCCCCCCCCCCCCCCCCCC(C(=O)O)O
Canonical Smiles
CCCCCCCCCCCCCCCCCCCCCCCCC(C(=O)O)O
Herb Alias Names
2-Hydroxyhexacosanoic acid14176-13-72-hydroxy-hexacosanoic acid2-hydroxycerotic acidHexacosanoic acid, 2-hydroxy-EINECS 238-029-8alpha-hydroxycerotic acidalpha-hydroxyhexacosanoic acidSCHEMBL337352CHEBI:76986
Molecular Weight
412.7 g/mol
Molecular Formula
C26H52O3
Molecular Formula
C26H52O3
Num Rotatable Bonds
24