Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 3Ingredient: 1Target: 1Links: 4
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 35130
- Core Entity Id
- 42233
- Source Entity Count
- 1
- Preferred Name
- Thapsic acid
- Name En
- Pubchem Id
- 10459
- Smiles Canonical
- C(CCCCCCCC(=O)O)CCCCCCC(=O)O
- Molecular Formula
- C16H30O4
- Molecular Weight
- 286.4120
- Inchikey
- QQHJDPROMQRDLA-UHFFFAOYSA-N
- Inchi
- InChI=1S/C16H30O4/c17-15(18)13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(19)20/h1-14H2,(H,17,18)(H,19,20)
- Isomeric Smiles
- C(CCCCCCCC(=O)O)CCCCCCC(=O)O
- Cas Id
- 505-54-4
- Ob Score
- 20.7248
- Mol Logp
- 4.6170
- Num H Donors
- 2
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 15
- Drug Likeness
- 0.4310
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Thapsic Acid
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Thapsic acid
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Thapsic acid
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Thapsic acid
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
1,14-Tetradecanedicarboxylic acid
Role
alias
Source
TCMBank
Preferred
No
Name
1,14-Tetradecanedicarboxylic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,14-Tetradecanedicarboxylic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
1,16-Hexadecanedioic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,16-Hexadecanedioic acid
Role
alias
Source
TCMBank
Preferred
No
Name
1,16-Hexadecanedioic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
177504_ALDRICH
Role
alias
Source
TCMBank
Preferred
No
Name
505-54-4
Role
alias
Source
HERB_v2
Preferred
No
Name
505-54-4
Role
alias
Source
itcmdb_public
Preferred
No
Name
505-54-4
Role
alias
Source
TCMBank
Preferred
No
Name
52230_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
AIDS002608
Role
alias
Source
TCMBank
Preferred
No
Name
EINECS 208-013-5
Role
alias
Source
itcmdb_public
Preferred
No
Name
EINECS 208-013-5
Role
alias
Source
HERB_v2
Preferred
No
Name
EINECS 208-013-5
Role
alias
Source
TCMBank
Preferred
No
Name
HEXADECANEDIOIC ACID
Role
alias
Source
HERB_v2
Preferred
No
Name
HEXADECANEDIOIC ACID
Role
alias
Source
itcmdb_public
Preferred
No
Name
Hexadecane-1,16-dioic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
Hexadecane-1,16-dioic acid
Role
alias
Source
TCMBank
Preferred
No
Name
Hexadecane-1,16-dioic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
Hexadecanedioic acid
Role
alias
Source
TCMBank
Preferred
No
Name
LMFA01170022
Role
alias
Source
TCMBank
Preferred
No
Name
MEGxp0_000578
Role
alias
Source
TCMBank
Preferred
No
Name
NSC15164
Role
alias
Source
TCMBank
Preferred
No
Name
SVZ90045Y2
Role
alias
Source
HERB_v2
Preferred
No
Name
SVZ90045Y2
Role
alias
Source
itcmdb_public
Preferred
No
Name
Thapsate
Role
alias
Source
itcmdb_public
Preferred
No
Name
Thapsate
Role
alias
Source
HERB_v2
Preferred
No
Name
Thaspic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
Thaspic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
n-Tetradecane-omega,omega'-dicarboxylic acid
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
1,14-Tetradecanedicarboxylic acid1,16-Hexadecanedioic acid177504_ALDRICH505-54-452230_FLUKAAIDS002608EINECS 208-013-5HEXADECANEDIOIC ACIDHexadecane-1,16-dioic acidLMFA01170022MEGxp0_000578NSC15164SVZ90045Y2ThapsateThaspic acidn-Tetradecane-omega,omega'-dicarboxylic acid
Cross References
Trusted external identifiers retained for this final record.
Cas
505-54-4
Herb
HBIN046243
Npass
NPC181399
Tcmsp
MOL006293
Sym Map
SMIT07936
Pub Chem
10459
Tcmbank
TCMBANKIN014611
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C16H30O4/c17-15(18)13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(19)20/h1-14H2,(H,17,18)(H,19,20)
Mol Wt
286.4119999999999
Cas Id
505-54-4
Smiles
C(CCCCCCCC(=O)O)CCCCCCC(=O)O
Mol Log P
4.617000000000003
Version
v1,v2
In Ch Ikey
QQHJDPROMQRDLA-UHFFFAOYSA-N
Ob Score
20.72478320.7247833820.725
Suppress
0
Num Hdonors
2
Drug Likeness
0.431
Num Hacceptors
2
Isomeric Smiles
C(CCCCCCCC(=O)O)CCCCCCC(=O)O
Molecule Weight
286.46
Canonical Smiles
C(CCCCCCCC(=O)O)CCCCCCC(=O)O
Herb Alias Names
HEXADECANEDIOIC ACID505-54-41,16-Hexadecanedioic acid1,14-Tetradecanedicarboxylic acidThaspic acidHexadecane-1,16-dioic acidThapsateSVZ90045Y2EINECS 208-013-5
Molecular Weight
286.41
Molecular Formula
C16H30O4
Molecular Formula
C16H30O4
Num Rotatable Bonds
15