Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 3Ingredient: 1Target: 8Links: 11
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 30689
- Core Entity Id
- 37292
- Source Entity Count
- 1
- Preferred Name
- Propal
- Name En
- Pubchem Id
- 8907
- Smiles Canonical
- CCCCCCCCCCCCCCCC(=O)OC(C)C
- Molecular Formula
- C19H38O2
- Molecular Weight
- 298.5110
- Inchikey
- XUGNVMKQXJXZCD-UHFFFAOYSA-N
- Inchi
- InChI=1S/C19H38O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(20)21-18(2)3/h18H,4-17H2,1-3H3
- Isomeric Smiles
- CCCCCCCCCCCCCCCC(=O)OC(C)C
- Cas Id
- 142-91-6
- Ob Score
- 19.5070
- Mol Logp
- 6.4193
- Num H Donors
- 0
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 15
- Drug Likeness
- 0.2570
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Propal
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Propal
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Propal
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Propal
Role
preferred
Source
TCMBank
Preferred
Yes
Name
142-91-6
Role
alias
Source
itcmdb_public
Preferred
No
Name
142-91-6
Role
alias
Source
HERB_v2
Preferred
No
Name
Deltyl
Role
alias
Source
itcmdb_public
Preferred
No
Name
Deltyl
Role
alias
Source
HERB_v2
Preferred
No
Name
Emerest 2316
Role
alias
Source
itcmdb_public
Preferred
No
Name
Emerest 2316
Role
alias
Source
HERB_v2
Preferred
No
Name
Hexadecanoic acid, 1-methylethyl ester
Role
alias
Source
HERB_v2
Preferred
No
Name
Hexadecanoic acid, 1-methylethyl ester
Role
alias
Source
itcmdb_public
Preferred
No
Name
ISOPROPYL PALMITATE
Role
alias
Source
itcmdb_public
Preferred
No
Name
ISOPROPYL PALMITATE
Role
alias
Source
HERB_v2
Preferred
No
Name
Isopal
Role
alias
Source
itcmdb_public
Preferred
No
Name
Isopal
Role
alias
Source
HERB_v2
Preferred
No
Name
Isopalm
Role
alias
Source
itcmdb_public
Preferred
No
Name
Isopalm
Role
alias
Source
HERB_v2
Preferred
No
Name
Isopropyl hexadecanoate
Role
alias
Source
HERB_v2
Preferred
No
Name
Isopropyl hexadecanoate
Role
alias
Source
itcmdb_public
Preferred
No
Name
Wickenol 111
Role
alias
Source
HERB_v2
Preferred
No
Name
Wickenol 111
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
142-91-6DeltylEmerest 2316Hexadecanoic acid, 1-methylethyl esterISOPROPYL PALMITATEIsopalIsopalmIsopropyl hexadecanoateWickenol 111
Cross References
Trusted external identifiers retained for this final record.
Cas
142-91-6
Herb
HBIN031077HBIN040820
Npass
NPC287231
Tcmid
33699
Tcmsp
MOL006342
Sym Map
SMIT07983
Pub Chem
8907
Tcmbank
TCMBANKIN061064
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C19H38O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(20)21-18(2)3/h18H,4-17H2,1-3H3
Mol Wt
298.511
Cas Id
142-91-6
Smiles
CCCCCCCCCCCCCCCC(=O)OC(C)C
Mol Log P
6.419300000000007
Version
v1,v2
In Ch Ikey
XUGNVMKQXJXZCD-UHFFFAOYSA-N
Ob Score
19.50719.50742719.50742743
Suppress
0
Num Hdonors
0
Drug Likeness
0.257
Num Hacceptors
2
Isomeric Smiles
CCCCCCCCCCCCCCCC(=O)OC(C)C
Molecule Weight
298.57
Canonical Smiles
CCCCCCCCCCCCCCCC(=O)OC(C)C
Herb Alias Names
ISOPROPYL PALMITATE142-91-6Isopropyl hexadecanoateHexadecanoic acid, 1-methylethyl esterIsopalmEmerest 2316Wickenol 111DeltylIsopal
Molecular Weight
298.5
Molecular Formula
C19H38O2
Molecular Formula
C19H38O2
Num Rotatable Bonds
15