Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 12Ingredient: 1Target: 1Links: 13
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 29345
- Core Entity Id
- 35802
- Source Entity Count
- 1
- Preferred Name
- Pentacosanoic acid
- Name En
- Pubchem Id
- 10468
- Smiles Canonical
- CCCCCCCCCCCCCCCCCCCCCCCCC(=O)O
- Molecular Formula
- C25H50O2
- Molecular Weight
- 382.6730
- Inchikey
- MWMPEAHGUXCSMY-UHFFFAOYSA-N
- Inchi
- InChI=1S/C25H50O2/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(26)27/h2-24H2,1H3,(H,26,27)
- Isomeric Smiles
- CCCCCCCCCCCCCCCCCCCCCCCCC(=O)O
- Cas Id
- 506-38-7
- Ob Score
- 14.5680
- Mol Logp
- 9.0632
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 23
- Drug Likeness
- 0.1790
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Pentacosanoic Acid
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Pentacosanoic acid
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Pentacosanoic acid
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
4S768OX95G
Role
alias
Source
HERB_v2
Preferred
No
Name
4S768OX95G
Role
alias
Source
itcmdb_public
Preferred
No
Name
506-38-7
Role
alias
Source
itcmdb_public
Preferred
No
Name
506-38-7
Role
alias
Source
HERB_v2
Preferred
No
Name
C25:0
Role
alias
Source
itcmdb_public
Preferred
No
Name
C25:0
Role
alias
Source
HERB_v2
Preferred
No
Name
FA 25:0
Role
alias
Source
HERB_v2
Preferred
No
Name
FA 25:0
Role
alias
Source
itcmdb_public
Preferred
No
Name
Hyenate
Role
alias
Source
itcmdb_public
Preferred
No
Name
Hyenate
Role
alias
Source
HERB_v2
Preferred
No
Name
Hyenic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
Hyenic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
NSC-89289
Role
alias
Source
itcmdb_public
Preferred
No
Name
NSC-89289
Role
alias
Source
HERB_v2
Preferred
No
Name
PENTACOSANOICACID
Role
alias
Source
HERB_v2
Preferred
No
Name
PENTACOSANOICACID
Role
alias
Source
itcmdb_public
Preferred
No
Name
n-Pentacosanoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
n-Pentacosanoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
PENTACOSANOIC ACID;n-pentacosanoicacid
Role
preferred
Source
TCMBank
Preferred
Yes
Name
N-Pentacosanoicacid
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
柄果槲寄生;羌活;蜜蜡
Role
TCM_name
Source
TCMBank
Preferred
No
Name
BING GUO HU JI SHENG;QIANG HUO;MI LA
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Stipefruit Mistletoe
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
4S768OX95G506-38-7C25:0FA 25:0HyenateHyenic acidNSC-89289PENTACOSANOICACIDn-Pentacosanoic acidPENTACOSANOIC ACID;n-pentacosanoicacidN-Pentacosanoicacid柄果槲寄生;羌活;蜜蜡BING GUO HU JI SHENG;QIANG HUO;MI LAStipefruit Mistletoe
Cross References
Trusted external identifiers retained for this final record.
Cas
506-38-7
Herb
HBIN039127HBIN037483
Npass
NPC132565
Tcmid
168102536332456
Tcmsp
MOL000661
Sym Map
SMIT03210SMIT17127SMIT18843
Pub Chem
10468
Tcmbank
TCMBANKIN061132TCMBANKIN051121
Etcm Ingredient
n-Pentacosanoic acid
Itcmdb Generated
ITX-INGREDIENT-122264DBCA44ITX-INGREDIENT-5DFD9A376575
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C25H50O2/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(26)27/h2-24H2,1H3,(H,26,27)
Mol Wt
382.6730000000002
Cas Id
506-38-7
Smiles
CCCCCCCCCCCCCCCCCCCCCCCCC(=O)O
Mol Log P
9.063200000000004
Version
v1,v2
In Ch Ikey
MWMPEAHGUXCSMY-UHFFFAOYSA-N
Ob Score
14.56814.5683377
Suppress
0
Tcm Name
柄果槲寄生;羌活;蜜蜡
Tcm Name2
BING GUO HU JI SHENG;QIANG HUO;MI LA
Mol2 Path
/TCM_database/2003_3d_all/6691.mol2
Reference
2, 660
Num Hdonors
1
Tcm Name En
Stipefruit Mistletoe
Drug Likeness
0.179
Num Hacceptors
1
Isomeric Smiles
CCCCCCCCCCCCCCCCCCCCCCCCC(=O)O
Molecule Weight
382.75
Canonical Smiles
CCCCCCCCCCCCCCCCCCCCCCCCC(=O)O
Herb Alias Names
506-38-7Hyenic acidn-Pentacosanoic acid4S768OX95GNSC-89289FA 25:0C25:0PENTACOSANOICACIDHyenate
Molecular Weight
382.380
Molecular Weight
382.7 g/mol
Molecular Formula
C25H50O2
Molecular Formula
C25H50O2
Molecular Formula
C25H50O2
Num Rotatable Bonds
23
Fda Maximum Daily Dose (Fdamdd)
0.012
Quantitative Estimate Of Drug Likeness（Qed）
0.179