Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 12Ingredient: 1Links: 12
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 27840
- Core Entity Id
- 34128
- Source Entity Count
- 1
- Preferred Name
- Nonadecylic acid
- Name En
- Pubchem Id
- 12591
- Smiles Canonical
- CCCCCCCCCCCCCCCCCCC(=O)O
- Molecular Formula
- C19H38O2
- Molecular Weight
- 298.5110
- Inchikey
- ISYWECDDZWTKFF-UHFFFAOYSA-N
- Inchi
- InChI=1S/C19H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21/h2-18H2,1H3,(H,20,21)
- Isomeric Smiles
- CCCCCCCCCCCCCCCCCCC(=O)O
- Cas Id
- 12707-74-3
- Ob Score
- 17.2080
- Mol Logp
- 6.7226
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 17
- Drug Likeness
- 0.3020
- Polar Surface Area
- 37.0000
- Molecular Volume
- 242.0000
- Alogp
- 8.0000
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Nonadecylic Acid
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Nonadecylic acid
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Nonadecylic acid
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Nonadecylic acid
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
646-30-0
Role
alias
Source
itcmdb_public
Preferred
No
Name
646-30-0
Role
alias
Source
HERB_v2
Preferred
No
Name
68002-88-0
Role
alias
Source
HERB_v2
Preferred
No
Name
68002-88-0
Role
alias
Source
itcmdb_public
Preferred
No
Name
C19:0
Role
alias
Source
HERB_v2
Preferred
No
Name
C19:0
Role
alias
Source
itcmdb_public
Preferred
No
Name
H6M3VYC62P
Role
alias
Source
itcmdb_public
Preferred
No
Name
H6M3VYC62P
Role
alias
Source
HERB_v2
Preferred
No
Name
MFCD00002754
Role
alias
Source
itcmdb_public
Preferred
No
Name
MFCD00002754
Role
alias
Source
HERB_v2
Preferred
No
Name
NONADECANOIC ACID
Role
alias
Source
HERB_v2
Preferred
No
Name
NONADECANOIC ACID
Role
alias
Source
itcmdb_public
Preferred
No
Name
NSC 11914
Role
alias
Source
HERB_v2
Preferred
No
Name
NSC 11914
Role
alias
Source
itcmdb_public
Preferred
No
Name
n-Nonadecanoic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
n-Nonadecanoic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
n-Nonadecylic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
n-Nonadecylic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
Nonadecanoic Acid
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
nonadecanoic acid
Role
preferred
Source
TCMBank
Preferred
Yes
Name
白扁豆
Role
TCM_name
Source
TCMBank
Preferred
No
Name
Dolichos lablab
Role
TCM_name_en
Source
TCMBank
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.
646-30-068002-88-0C19:0H6M3VYC62PMFCD00002754NONADECANOIC ACIDNSC 11914n-Nonadecanoic acidn-Nonadecylic acid白扁豆Dolichos lablab13.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
12707-74-3
Herb
HBIN037238HBIN037239HBIN037246
Npass
NPC37132
Tcmid
156632477032601
Tcmsp
MOL005971
Sym Map
SMIT07654SMIT18692
Tcm Id
2245
Pub Chem
12591
Tcmbank
TCMBANKIN061101TCMBANKIN036268
Itcmdb Generated
ITX-INGREDIENT-69E51BA565DD
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
Alog P
8
In Ch I
InChI=1S/C19H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21/h2-18H2,1H3,(H,20,21)
Mol Wt
298.5109999999999
Cas Id
12707-74-3
Smiles
CCCCCCCCCCCCCCCCCCC(=O)O
37 Flag
37
C Count
19
Mol Log P
6.722600000000007
N Count
0
O Count
2
P Count
0
S Count
0
Version
v1,v2
In Ch Ikey
ISYWECDDZWTKFF-UHFFFAOYSA-N
Ob Score
17.20817.2083817.20838049
Suppress
0
Tcm Name
白扁豆
Mol2 Path
/TCM_database/13.补虚药(60-62)/1.补气药(15-15)/白扁豆/Structure/3D/nonadecanoic acid.mol2
Num Hdonors
1
Tcm Name En
Dolichos lablab
Level1 Name
13.补虚药(60-62)
Level2 Name
1.补气药(15-15)
Num H Donors
1
Drug Likeness
0.302
Num Hacceptors
1
Level1 Name En
tonifying and replenishing medicinal
Level2 Name En
qi-tonifying medicinal
Isomeric Smiles
CCCCCCCCCCCCCCCCCCC(=O)O
Molecule Weight
298.57
Num H Acceptors
2
Canonical Smiles
CCCCCCCCCCCCCCCCCCC(=O)O
Herb Alias Names
NONADECANOIC ACID646-30-0n-Nonadecanoic acidC19:0n-Nonadecylic acidMFCD00002754NSC 1191468002-88-0H6M3VYC62P
Molecular Volume
242
Molecular Weight
298.5 g/mol
Molecular Formula
C19H38O2
Molecular Formula
C19H38O2
Num Rotatable Bonds
17
Num Rotatable Bonds
17
Molecular Polar Surface Area
37