Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Target: 12Links: 14
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 24133
- Core Entity Id
- 30010
- Source Entity Count
- 1
- Preferred Name
- Lama
- Name En
- Pubchem Id
- 8906
- Smiles Canonical
- CCCCCCCCCCCCOC(=O)C(=C)C
- Molecular Formula
- C16H30O2
- Molecular Weight
- 254.4140
- Inchikey
- GMSCBRSQMRDRCD-UHFFFAOYSA-N
- Inchi
- InChI=1S/C16H30O2/c1-4-5-6-7-8-9-10-11-12-13-14-18-16(17)15(2)3/h2,4-14H2,1,3H3
- Isomeric Smiles
- CCCCCCCCCCCCOC(=O)C(=C)C
- Cas Id
- 170292-57-6
- Ob Score
- 12.9980
- Mol Logp
- 5.0266
- Num H Donors
- 0
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 12
- Drug Likeness
- 0.2770
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
LAMA
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Lama
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Lama
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Lama
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
142-90-5
Role
alias
Source
itcmdb_public
Preferred
No
Name
142-90-5
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Propenoic acid, 2-methyl-, dodecyl ester
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Propenoic acid, 2-methyl-, dodecyl ester
Role
alias
Source
itcmdb_public
Preferred
No
Name
Dodecyl 2-methyl-2-propenoate
Role
alias
Source
HERB_v2
Preferred
No
Name
Dodecyl 2-methyl-2-propenoate
Role
alias
Source
itcmdb_public
Preferred
No
Name
Dodecyl 2-methylacrylate
Role
alias
Source
itcmdb_public
Preferred
No
Name
Dodecyl 2-methylacrylate
Role
alias
Source
HERB_v2
Preferred
No
Name
Dodecyl methacrylate
Role
alias
Source
itcmdb_public
Preferred
No
Name
Dodecyl methacrylate
Role
alias
Source
HERB_v2
Preferred
No
Name
LAURYL METHACRYLATE
Role
alias
Source
HERB_v2
Preferred
No
Name
LAURYL METHACRYLATE
Role
alias
Source
itcmdb_public
Preferred
No
Name
Metazene
Role
alias
Source
HERB_v2
Preferred
No
Name
Metazene
Role
alias
Source
itcmdb_public
Preferred
No
Name
N-Dodecyl methacrylate
Role
alias
Source
HERB_v2
Preferred
No
Name
N-Dodecyl methacrylate
Role
alias
Source
itcmdb_public
Preferred
No
Name
Sipomer LMA
Role
alias
Source
HERB_v2
Preferred
No
Name
Sipomer LMA
Role
alias
Source
itcmdb_public
Preferred
No
Name
dodecyl 2-methylprop-2-enoate
Role
alias
Source
itcmdb_public
Preferred
No
Name
dodecyl 2-methylprop-2-enoate
Role
alias
Source
HERB_v2
Preferred
No
Name
Lauryl Methacrylate
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Lauryl methacrylate
Role
preferred
Source
TCMBank
Preferred
Yes
Aliases
Additional names normalized into the restored final schema.
142-90-52-Propenoic acid, 2-methyl-, dodecyl esterDodecyl 2-methyl-2-propenoateDodecyl 2-methylacrylateDodecyl methacrylateLAURYL METHACRYLATEMetazeneN-Dodecyl methacrylateSipomer LMAdodecyl 2-methylprop-2-enoate
Cross References
Trusted external identifiers retained for this final record.
Cas
170292-57-6
Herb
HBIN032586HBIN032768
Npass
NPC223675
Tcmid
33698
Tcmsp
MOL010688
Sym Map
SMIT11694SMIT25023
Pub Chem
8906
Tcmbank
TCMBANKIN061179
Etcm Ingredient
LAMA
Itcmdb Generated
ITX-INGREDIENT-EC3139BAADC8ITX-INGREDIENT-446B200ADA54
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C16H30O2/c1-4-5-6-7-8-9-10-11-12-13-14-18-16(17)15(2)3/h2,4-14H2,1,3H3
Mol Wt
254.4139999999999
Cas Id
170292-57-6
Smiles
CCCCCCCCCCCCOC(=O)C(=C)C
Mol Log P
5.026600000000005
Version
v1,v2
In Ch Ikey
GMSCBRSQMRDRCD-UHFFFAOYSA-N
Ob Score
12.99812.99810378
Suppress
0
Num Hdonors
0
Drug Likeness
0.277
Num Hacceptors
2
Isomeric Smiles
CCCCCCCCCCCCOC(=O)C(=C)C
Molecule Weight
254.46
Canonical Smiles
CCCCCCCCCCCCOC(=O)C(=C)C
Herb Alias Names
Dodecyl methacrylate142-90-5LAURYL METHACRYLATEDodecyl 2-methylacrylateMetazene2-Propenoic acid, 2-methyl-, dodecyl esterN-Dodecyl methacrylateDodecyl 2-methyl-2-propenoatedodecyl 2-methylprop-2-enoateSipomer LMA
Molecular Weight
254.220
Molecular Weight
254.41 g/mol
Molecular Formula
C16H30O2
Molecular Formula
C16H30O2
Molecular Formula
C16H30O2
Num Rotatable Bonds
12
Fda Maximum Daily Dose (Fdamdd)
0.013
Quantitative Estimate Of Drug Likeness（Qed）
0.277