Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 2135
- Core Entity Id
- 5562
- Source Entity Count
- 1
- Preferred Name
- 2-methyl-1-undecanol
- Name En
- Pubchem Id
- 66341
- Smiles Canonical
- CCCCCCCCCC(C)CO
- Molecular Formula
- C12H26O
- Molecular Weight
- 186.3390
- Inchikey
- FGZXHVORLPLICA-UHFFFAOYSA-N
- Inchi
- InChI=1S/C12H26O/c1-3-4-5-6-7-8-9-10-12(2)11-13/h12-13H,3-11H2,1-2H3
- Isomeric Smiles
- CCCCCCCCCC(C)CO
- Cas Id
- Ob Score
- Mol Logp
- 3.7555
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 9
- Drug Likeness
- 0.5440
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2-methyl-1-undecanol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
2-methyl-1-undecanol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
2-methyl-1-undecanol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
1-Undecanol, 2-methyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
1-Undecanol, 2-methyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
10522-26-6
Role
alias
Source
itcmdb_public
Preferred
No
Name
10522-26-6
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Methylundecanol
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Methylundecanol
Role
alias
Source
HERB_v2
Preferred
No
Name
2-methylundecan-1-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
2-methylundecan-1-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
B2321D186B
Role
alias
Source
HERB_v2
Preferred
No
Name
B2321D186B
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID20864287
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID20864287
Role
alias
Source
itcmdb_public
Preferred
No
Name
EINECS 234-067-4
Role
alias
Source
HERB_v2
Preferred
No
Name
EINECS 234-067-4
Role
alias
Source
itcmdb_public
Preferred
No
Name
UNII-B2321D186B
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-B2321D186B
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
1-Undecanol, 2-methyl-10522-26-62-Methylundecanol2-methylundecan-1-olB2321D186BDTXSID20864287EINECS 234-067-4UNII-B2321D186B
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN005950
Tcmid
34652
Pub Chem
66341
Tcmbank
TCMBANKIN006433
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C12H26O/c1-3-4-5-6-7-8-9-10-12(2)11-13/h12-13H,3-11H2,1-2H3
Mol Wt
186.339
Smiles
CCCCCCCCCC(C)CO
Mol Log P
3.755500000000003
In Ch Ikey
FGZXHVORLPLICA-UHFFFAOYSA-N
Num Hdonors
1
Drug Likeness
0.544
Num Hacceptors
1
Isomeric Smiles
CCCCCCCCCC(C)CO
Canonical Smiles
CCCCCCCCCC(C)CO
Herb Alias Names
10522-26-61-Undecanol, 2-methyl-2-methylundecan-1-olUNII-B2321D186B2-methyl-undecan-1-olEINECS 234-067-4B2321D186BDTXSID208642872-Methylundecanol
Molecular Weight
186.33 g/mol
Molecular Formula
C12H26O
Molecular Formula
C12H26O
Num Rotatable Bonds
9