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: 1Ingredient: 1Target: 5Links: 10
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 2691
- Core Entity Id
- 6180
- Source Entity Count
- 1
- Preferred Name
- (2s)-2-hydroxylignoceric acid
- Name En
- Pubchem Id
- 18667409
- Smiles Canonical
- CCCCCCCCCCCCCCCCCCCCCCC(C(=O)O)O
- Molecular Formula
- C24H48O3
- Molecular Weight
- 384.6450
- Inchikey
- MSUOLNSQHLHDAS-QHCPKHFHSA-N
- Inchi
- InChI=1S/C24H48O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(25)24(26)27/h23,25H,2-22H2,1H3,(H,26,27)/t23-/m0/s1
- Isomeric Smiles
- CCCCCCCCCCCCCCCCCCCCCC[C@@H](C(=O)O)O
- Cas Id
- 544-57-0
- Ob Score
- 17.5450
- Mol Logp
- 7.6439
- Num H Donors
- 2
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 22
- Drug Likeness
- 0.1880
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(2S)-2-Hydroxylignoceric Acid
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
(2S)-2-Hydroxylignoceric Acid
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
(2S)-2-hydroxylignoceric acid
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
(2S)-2-hydroxylignoceric acid
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(2s)-2-hydroxylignoceric acid
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(2s)-2-hydroxylignoceric acid
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
(2S)-2-hydroxytetracosanoic acid
Role
alias
Source
TCMBank
Preferred
No
Name
(S)-2-Hydroxylignoceric acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
(S)-2-Hydroxylignoceric acid
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Hydroxytetracosanoic acid, (S)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Hydroxytetracosanoic acid, (S)-
Role
alias
Source
HERB_v2
Preferred
No
Name
54563-87-0
Role
alias
Source
HERB_v2
Preferred
No
Name
54563-87-0
Role
alias
Source
itcmdb_public
Preferred
No
Name
P4T7C53RBF
Role
alias
Source
HERB_v2
Preferred
No
Name
P4T7C53RBF
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL6237403
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL6237403
Role
alias
Source
itcmdb_public
Preferred
No
Name
Tetracosanoic acid, 2-hydroxy-, (S)-
Role
alias
Source
HERB_v2
Preferred
No
Name
Tetracosanoic acid, 2-hydroxy-, (S)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
UNII-P4T7C53RBF
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-P4T7C53RBF
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-hydroxytetracosanoic acid
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
2-hydroxy-tetracosanoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-hydroxylignoceric acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
544-57-0
Role
alias
Source
HERB_v2
Preferred
No
Name
66QN3B074E
Role
alias
Source
HERB_v2
Preferred
No
Name
Cerebronic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
DL-Cerebronic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
Phrenosic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
Phrenosinic acid
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(2S)-2-hydroxytetracosanoic acid(S)-2-Hydroxylignoceric acid2-Hydroxytetracosanoic acid, (S)-54563-87-0P4T7C53RBFSCHEMBL6237403Tetracosanoic acid, 2-hydroxy-, (S)-UNII-P4T7C53RBF2-hydroxytetracosanoic acid2-hydroxy-tetracosanoic acid2-hydroxylignoceric acid544-57-066QN3B074ECerebronic acidDL-Cerebronic acidPhrenosic acidPhrenosinic acid
Cross References
Trusted external identifiers retained for this final record.
Cas
544-57-026632-11-1
Herb
HBIN006596HBIN005831
Npass
NPC491263
Tcmsp
MOL000818
Sym Map
SMIT03337
Tcm Id
8602
Pub Chem
18667409102430
Tcmbank
TCMBANKIN028532TCMBANKIN019968
Etcm Ingredient
(2S)-2-hydroxylignoceric acid
Itcmdb Generated
ITX-INGREDIENT-10ADD1105CCB
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C24H48O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(25)24(26)27/h23,25H,2-22H2,1H3,(H,26,27)/t23-/m0/s1
Mol Wt
384.6450000000001
Cas Id
544-57-0
Smiles
CCCCCCCCCCCCCCCCCCCCCCC(C(=O)O)O
Mol Log P
7.643900000000009
Version
v1,v2
In Ch Ikey
MSUOLNSQHLHDAS-QHCPKHFHSA-N
Ob Score
17.54517.5452677417.545268
Suppress
0
Num Hdonors
2
Drug Likeness
0.188
Num Hacceptors
2
Isomeric Smiles
CCCCCCCCCCCCCCCCCCCCCC[C@@H](C(=O)O)O
Molecule Weight
384.72
Canonical Smiles
CCCCCCCCCCCCCCCCCCCCCCC(C(=O)O)O
Herb Alias Names
(S)-2-Hydroxylignoceric acidP4T7C53RBF2-Hydroxytetracosanoic acid, (S)-UNII-P4T7C53RBFTetracosanoic acid, 2-hydroxy-, (S)-54563-87-0SCHEMBL6237403
Molecular Weight
384.360
Molecular Weight
384.64
Molecular Formula
C24H48O3
Molecular Formula
C24H48O3
Molecular Formula
C24H48O3
Num Rotatable Bonds
22
Fda Maximum Daily Dose (Fdamdd)
0.633
Quantitative Estimate Of Drug Likeness（Qed）
0.155