Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 3Ingredient: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 37510
- Core Entity Id
- 56382
- Source Entity Count
- 1
- Preferred Name
- 10-methylnonadecane
- Name En
- Pubchem Id
- 530070
- Smiles Canonical
- CCCCCCCCCC(C)CCCCCCCCC
- Molecular Formula
- C20H42
- Molecular Weight
- 282.5560
- Inchikey
- MIKKTERVKUURCM-UHFFFAOYSA-N
- Inchi
- InChI=1S/C20H42/c1-4-6-8-10-12-14-16-18-20(3)19-17-15-13-11-9-7-5-2/h20H,4-19H2,1-3H3
- Isomeric Smiles
- CCCCCCCCCC(C)CCCCCCCCC
- Cas Id
- Ob Score
- 10.2847
- Mol Logp
- 7.9039
- Num H Donors
- 0
- Num H Acceptors
- 0
- Num Rotatable Bonds
- 16
- Drug Likeness
- 0.2520
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
10-Methylnonadecane
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
10-Methylnonadecane
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
10-Methylnonadecane
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
10-methylnonadecane
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
10-methylnonadecane
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
56862-62-5
Role
alias
Source
HERB_v2
Preferred
No
Name
56862-62-5
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID50336220
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID50336220
Role
alias
Source
itcmdb_public
Preferred
No
Name
Nonadecane, 10-methyl
Role
alias
Source
HERB_v2
Preferred
No
Name
Nonadecane, 10-methyl
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
56862-62-5DTXSID50336220Nonadecane, 10-methyl
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN000170
Tcmsp
MOL007465
Sym Map
SMIT08897
Tcm Id
9423
Pub Chem
530070
Etcm Ingredient
10-Methylnonadecane
Itcmdb Generated
ITX-INGREDIENT-34049D8BFBC3
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C20H42/c1-4-6-8-10-12-14-16-18-20(3)19-17-15-13-11-9-7-5-2/h20H,4-19H2,1-3H3
Mol Wt
282.556
Mol Log P
7.903900000000008
Version
v1,v2
In Ch Ikey
MIKKTERVKUURCM-UHFFFAOYSA-N
Ob Score
10.2846614510.285
Suppress
0
Num Hdonors
0
Drug Likeness
0.252
Num Hacceptors
0
Isomeric Smiles
CCCCCCCCCC(C)CCCCCCCCC
Molecule Weight
282.62
Canonical Smiles
CCCCCCCCCC(C)CCCCCCCCC
Herb Alias Names
56862-62-5Nonadecane, 10-methylDTXSID50336220
Molecular Weight
282.330
Molecular Formula
C20H42
Molecular Formula
C20H42
Num Rotatable Bonds
16
Fda Maximum Daily Dose (Fdamdd)
0.025
Quantitative Estimate Of Drug Likeness（Qed）
0.252