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
- 7101
- Core Entity Id
- 11075
- Source Entity Count
- 1
- Preferred Name
- 5-methyl-1-undecene
- Name En
- Pubchem Id
- 522550
- Smiles Canonical
- CCCCCCC(C)CCC=C
- Molecular Formula
- C12H24
- Molecular Weight
- 168.3240
- Inchikey
- HNWYNXVFBLSLQE-UHFFFAOYSA-N
- Inchi
- InChI=1S/C12H24/c1-4-6-8-9-11-12(3)10-7-5-2/h5,12H,2,4,6-11H2,1,3H3
- Isomeric Smiles
- CCCCCCC(C)CCC=C
- Cas Id
- Ob Score
- Mol Logp
- 4.5591
- Num H Donors
- 0
- Num H Acceptors
- 0
- Num Rotatable Bonds
- 8
- Drug Likeness
- 0.3680
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
5-methyl-1-undecene
Role
preferred
Source
TCMBank
Preferred
Yes
Name
5-methyl-1-undecene
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
5-methyl-1-undecene
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
1-Undecene, 5-methyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
1-Undecene, 5-methyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
146919-79-1
Role
alias
Source
itcmdb_public
Preferred
No
Name
146919-79-1
Role
alias
Source
HERB_v2
Preferred
No
Name
5-Methyl-1-undecene #
Role
alias
Source
itcmdb_public
Preferred
No
Name
5-Methyl-1-undecene #
Role
alias
Source
HERB_v2
Preferred
No
Name
5-Methylundecene
Role
alias
Source
itcmdb_public
Preferred
No
Name
5-Methylundecene
Role
alias
Source
HERB_v2
Preferred
No
Name
74630-38-9
Role
alias
Source
HERB_v2
Preferred
No
Name
74630-38-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID20334995
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID20334995
Role
alias
Source
itcmdb_public
Preferred
No
Name
HNWYNXVFBLSLQE-UHFFFAOYSA-N
Role
alias
Source
HERB_v2
Preferred
No
Name
HNWYNXVFBLSLQE-UHFFFAOYSA-N
Role
alias
Source
itcmdb_public
Preferred
No
Name
NS00095970
Role
alias
Source
HERB_v2
Preferred
No
Name
NS00095970
Role
alias
Source
itcmdb_public
Preferred
No
Name
Q67879634
Role
alias
Source
HERB_v2
Preferred
No
Name
Q67879634
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
1-Undecene, 5-methyl-146919-79-15-Methyl-1-undecene #5-Methylundecene74630-38-9DTXSID20334995HNWYNXVFBLSLQE-UHFFFAOYSA-NNS00095970Q67879634
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN011782
Tcmid
34662
Pub Chem
522550
Tcmbank
TCMBANKIN002437
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C12H24/c1-4-6-8-9-11-12(3)10-7-5-2/h5,12H,2,4,6-11H2,1,3H3
Mol Wt
168.324
Smiles
CCCCCCC(C)CCC=C
Mol Log P
4.559100000000004
In Ch Ikey
HNWYNXVFBLSLQE-UHFFFAOYSA-N
Num Hdonors
0
Drug Likeness
0.368
Num Hacceptors
0
Isomeric Smiles
CCCCCCC(C)CCC=C
Canonical Smiles
CCCCCCC(C)CCC=C
Herb Alias Names
1-Undecene, 5-methyl-146919-79-15-Methylundecene5-Methyl-1-undecene #74630-38-9DTXSID20334995HNWYNXVFBLSLQE-UHFFFAOYSA-NNS00095970Q67879634
Molecular Weight
168.32 g/mol
Molecular Formula
C12H24
Molecular Formula
C12H24
Num Rotatable Bonds
8