Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 9Ingredient: 1Target: 2Links: 11
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 24014
- Core Entity Id
- 29877
- Source Entity Count
- 1
- Preferred Name
- Lacceric acid
- Name En
- Pubchem Id
- 19255
- Smiles Canonical
- CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O
- Molecular Formula
- C32H64O2
- Molecular Weight
- 480.8620
- Inchikey
- ICAIHSUWWZJGHD-UHFFFAOYSA-N
- Inchi
- InChI=1S/C32H64O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32(33)34/h2-31H2,1H3,(H,33,34)
- Isomeric Smiles
- CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O
- Cas Id
- 3625-52-3
- Ob Score
- 12.7985
- Mol Logp
- 11.7939
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 30
- Drug Likeness
- 0.1040
- Polar Surface Area
- 37.0000
- Molecular Volume
- 393.0000
- Alogp
- 14.0000
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Lacceric Acid
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Lacceric acid
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Lacceric acid
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
3625-52-3
Role
alias
Source
HERB_v2
Preferred
No
Name
3625-52-3
Role
alias
Source
itcmdb_public
Preferred
No
Name
C32:0
Role
alias
Source
itcmdb_public
Preferred
No
Name
C32:0
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:76215
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:76215
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL1917282
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL1917282
Role
alias
Source
HERB_v2
Preferred
No
Name
DOTRIACONTANOIC ACID
Role
alias
Source
HERB_v2
Preferred
No
Name
DOTRIACONTANOIC ACID
Role
alias
Source
itcmdb_public
Preferred
No
Name
Lacceroic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
Lacceroic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
PB0234915O
Role
alias
Source
HERB_v2
Preferred
No
Name
PB0234915O
Role
alias
Source
itcmdb_public
Preferred
No
Name
UNII-PB0234915O
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-PB0234915O
Role
alias
Source
itcmdb_public
Preferred
No
Name
n-dotriacontanoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
n-dotriacontanoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
Dotriacontanoic acid
Role
preferred
Source
TCMBank
Preferred
Yes
Name
lacceroic acid
Role
preferred
Source
TCMBank
Preferred
Yes
Name
半边莲
Role
TCM_name
Source
TCMBank
Preferred
No
Name
Lobelia chinensis
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
2.清热药(64-64)
Role
level1_name
Source
TCMBank
Preferred
No
Name
heat-clearing medicinal
Role
level1_name_en
Source
TCMBank
Preferred
No
Name
3.清热解毒药(30-30)
Role
level2_name
Source
TCMBank
Preferred
No
Name
heat-clearing and detoxicating medicinal
Role
level2_name_en
Source
TCMBank
Preferred
No
Name
Dotriacontanic acid
Role
preferred
Source
TCMBank
Preferred
Yes
Name
灰苞蒿
Role
TCM_name
Source
TCMBank
Preferred
No
Name
HUI BAO HAO
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Roxburgh Wormwood
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
3625-52-3C32:0CHEBI:76215CHEMBL1917282DOTRIACONTANOIC ACIDLacceroic acidPB0234915OUNII-PB0234915On-dotriacontanoic acid半边莲Lobelia chinensis2.清热药(64-64)heat-clearing medicinal3.清热解毒药(30-30)heat-clearing and detoxicating medicinalDotriacontanic acid灰苞蒿HUI BAO HAORoxburgh Wormwood
Cross References
Trusted external identifiers retained for this final record.
Cas
3625-52-3
Herb
HBIN032507HBIN024443
Npass
NPC67462
Tcmid
30928361636574
Tcmsp
MOL001450
Sym Map
SMIT03869
Tcm Id
4732
Pub Chem
19255
Tcmbank
TCMBANKIN061143TCMBANKIN017959TCMBANKIN055818
Etcm Ingredient
Dotriacontanic acid
Itcmdb Generated
ITX-INGREDIENT-B16FC84A1C23ITX-INGREDIENT-1E2771334D9AITX-INGREDIENT-E5A46DDABDD6
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
Alog P
14
In Ch I
InChI=1S/C32H64O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32(33)34/h2-31H2,1H3,(H,33,34)
Mol Wt
480.8620000000005
Cas Id
3625-52-3
Smiles
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O
37 Flag
37
C Count
32
Mol Log P
11.79389999999999
N Count
0
O Count
2
P Count
0
S Count
0
Version
v1,v2
In Ch Ikey
ICAIHSUWWZJGHD-UHFFFAOYSA-N
Ob Score
12.7985273212.799
Suppress
0
Tcm Name
半边莲
Tcm Name2
HUI BAO HAO
Mol2 Path
/TCM_database/2.清热药(64-64)/3.清热解毒药(30-30)/半边莲/Structure/lacceroic acid.mol2
Reference
503
Num Hdonors
1
Tcm Name En
Lobelia chinensis
Level1 Name
2.清热药(64-64)
Level2 Name
3.清热解毒药(30-30)
Num H Donors
1
Drug Likeness
0.104
Num Hacceptors
1
Level1 Name En
heat-clearing medicinal
Level2 Name En
heat-clearing and detoxicating medicinal
Isomeric Smiles
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O
Molecule Weight
480.96
Num H Acceptors
2
Canonical Smiles
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O
Herb Alias Names
DOTRIACONTANOIC ACIDLacceroic acid3625-52-3C32:0CHEMBL1917282CHEBI:76215PB0234915OUNII-PB0234915On-dotriacontanoic acid
Molecular Weight
480.490
Molecular Volume
393
Molecular Weight
480.8 g/mol
Molecular Formula
C32H64O2
Molecular Formula
C32H64O2
Molecular Formula
C32H64O2
Num Rotatable Bonds
30
Num Rotatable Bonds
30
Molecular Polar Surface Area
37
Fda Maximum Daily Dose (Fdamdd)
0.012
Quantitative Estimate Of Drug Likeness（Qed）
0.104