Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 12Ingredient: 1Target: 12Links: 24
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 17942
- Core Entity Id
- 23118
- Source Entity Count
- 1
- Preferred Name
- Arachic acid
- Name En
- Pubchem Id
- 10467
- Smiles Canonical
- C(O[H])(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C( [H])([H])C([H])([H])[H]
- Molecular Formula
- C20H40O2
- Molecular Weight
- 312.5380
- Inchikey
- VKOBVWXKNCXXDE-UHFFFAOYSA-N
- Inchi
- InChI=1S/C20H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-19H2,1H3,(H,21,22)
- Isomeric Smiles
- CCCCCCCCCCCCCCCCCCCC(=O)O
- Cas Id
- 506-30-9
- Ob Score
- 16.6560
- Mol Logp
- 7.1127
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 18
- Drug Likeness
- 0.2740
- Polar Surface Area
- 37.0000
- Molecular Volume
- 252.0000
- Alogp
- 8.0000
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Arachic Acid
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Eicosanoic Acid
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Arachic Acid
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Arachic acid
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Arachic acid
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Arachic acid
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Arachidic Acid
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Arachidic acid
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Arachidic acid
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Eicosanoic Acid
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Eicosanoic acid
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Eicosanoic acid
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Eicosanoic acid
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
arachidic acid
Role
preferred
Source
TCMBank
Preferred
Yes
Name
巴豆;干地黄;落花生;杏仁;醋柳果;葛根;广金钱草;羌活;红花
Role
TCM_name
Source
TCMBank
Preferred
No
Name
白扁豆;乳香;沙菀子
Role
TCM_name
Source
TCMBank
Preferred
No
Name
BA DOU;GAN DI HUANG;LUO HUA SHENG;XING REN;CU LIU GUO;GE GEN;GUANG JIN QIAN CAO;QIANG HUO;HONG HUA
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Dolichos lablab;RU XIANG;SHA WAN ZI
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
Purging Croton;Adhesive Rehmannia Dried Root;Peanut;Apricot Seed;Seabuckthorn Fruit;Lobed Kudzuvine Root ;Snowbellleaf Tickclover;Incised Notopterygium;Safflower
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
506-30-9
Role
alias
Source
HERB_v2
Preferred
No
Name
506-30-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
Arachic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
Arachic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
Arachidic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
Arachidic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
Arachidinic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
Arachidinic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
EICOSANOIC ACID
Role
alias
Source
itcmdb_public
Preferred
No
Name
EICOSANOIC ACID
Role
alias
Source
HERB_v2
Preferred
No
Name
Icosanoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
Icosanoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
MFCD00002755
Role
alias
Source
HERB_v2
Preferred
No
Name
MFCD00002755
Role
alias
Source
itcmdb_public
Preferred
No
Name
arachidate
Role
alias
Source
itcmdb_public
Preferred
No
Name
arachidate
Role
alias
Source
HERB_v2
Preferred
No
Name
eicosanoate
Role
alias
Source
HERB_v2
Preferred
No
Name
eicosanoate
Role
alias
Source
itcmdb_public
Preferred
No
Name
eicosanoic acid
Role
alias
Source
TCMBank
Preferred
No
Name
n-Eicosanoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
n-Eicosanoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
13.补虚药(60-62)
Role
level1_name
Source
TCMBank
Preferred
No
Name
tonifying and replenishing medicinal
Role
level1_name_en
Source
TCMBank
Preferred
No
Name
1.补气药(15-15)
Role
level2_name
Source
TCMBank
Preferred
No
Name
qi-tonifying medicinal
Role
level2_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
Eicosanoic AcidArachidic Acid巴豆;干地黄;落花生;杏仁;醋柳果;葛根;广金钱草;羌活;红花白扁豆;乳香;沙菀子BA DOU;GAN DI HUANG;LUO HUA SHENG;XING REN;CU LIU GUO;GE GEN;GUANG JIN QIAN CAO;QIANG HUO;HONG HUADolichos lablab;RU XIANG;SHA WAN ZIPurging Croton;Adhesive Rehmannia Dried Root;Peanut;Apricot Seed;Seabuckthorn Fruit;Lobed Kudzuvine Root ;Snowbellleaf Tickclover;Incised Notopterygium;Safflower506-30-9Arachidinic acidIcosanoic acidMFCD00002755arachidateeicosanoaten-Eicosanoic acid13.补虚药(60-62)tonifying and replenishing medicinal1.补气药(15-15)qi-tonifying medicinal
Cross References
Trusted external identifiers retained for this final record.
Cas
506-30-9
Herb
HBIN016568HBIN016570HBIN024941
Npass
NPC149184NPC208620
Tcmid
1598250833245532880
Tcmsp
MOL000012
Sym Map
SMIT02406SMIT02566SMIT02702SMIT23718
Tcm Id
6720
Pub Chem
10467
Tcmbank
TCMBANKIN051728TCMBANKIN052609TCMBANKIN061105
Etcm Ingredient
Arachic acid
Itcmdb Generated
ITX-INGREDIENT-21E2C7914255ITX-INGREDIENT-40D52C76F4DFITX-INGREDIENT-62D1CF02CBAFITX-INGREDIENT-D82A7DAAF6BA
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
Alog P
8
In Ch I
InChI=1S/C20H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-19H2,1H3,(H,21,22)
Mol Wt
312.538
Cas Id
506-30-9
Smiles
C(O[H])(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(
[H])([H])C([H])([H])[H]C([H])([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([
H])C([H])([H])C(=O)O[H]CCCCCCCCCCCCCCCCCCCC(=O)O
37 Flag
37
C Count
20
Mol Log P
7.112700000000007
N Count
0
O Count
2
P Count
0
S Count
0
Version
v1,v2v2
In Ch Ikey
VKOBVWXKNCXXDE-UHFFFAOYSA-N
Ob Score
16.65616.65635616.65635621
Suppress
01
Tcm Name
巴豆;干地黄;落花生;杏仁;醋柳果;葛根;广金钱草;羌活;红花白扁豆;乳香;沙菀子
Tcm Name2
BA DOU;GAN DI HUANG;LUO HUA SHENG;XING REN;CU LIU GUO;GE GEN;GUANG JIN QIAN CAO;QIANG HUO;HONG HUA
Mol2 Path
/TCM_database/13.补虚药(60-62)/1.补气药(15-15)/白扁豆/Structure/3D/arachidic acid.mol2/TCM_database/2003_3d_all/561.mol2
Reference
2, 260
Num Hdonors
1
Tcm Name En
Dolichos lablab;RU XIANG;SHA WAN ZIPurging Croton;Adhesive Rehmannia Dried Root;Peanut;Apricot Seed;Seabuckthorn Fruit;Lobed Kudzuvine Root ;Snowbellleaf Tickclover;Incised Notopterygium;Safflower
Level1 Name
13.补虚药(60-62)
Level2 Name
1.补气药(15-15)
Num H Donors
1
Drug Likeness
0.274
Num Hacceptors
1
Level1 Name En
tonifying and replenishing medicinal
Level2 Name En
qi-tonifying medicinal
Isomeric Smiles
CCCCCCCCCCCCCCCCCCCC(=O)O
Molecule Weight
312.534312.6
Num H Acceptors
2
Canonical Smiles
CCCCCCCCCCCCCCCCCCCC(=O)O
Herb Alias Names
Arachidic acidIcosanoic acidEICOSANOIC ACID506-30-9n-Eicosanoic acidArachidinic acidarachidateeicosanoateMFCD00002755
Molecular Weight
312.300
Molecular Volume
252
Molecular Weight
312.53 g/mol313
Molecule Formula
C20H40O2
Molecular Formula
C20H40O2
Molecular Formula
C20H40O2
Molecular Formula
C20H40O2
Num Rotatable Bonds
18
Link Ingredient Id
2406.0
Num Rotatable Bonds
18
Molecular Polar Surface Area
37
Fda Maximum Daily Dose (Fdamdd)
0.014
Quantitative Estimate Of Drug Likeness（Qed）
0.274