Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
Click a node to open it in a new tab
Herb: 9Ingredient: 1Links: 9
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 36153
- Core Entity Id
- 43374
- Source Entity Count
- 1
- Preferred Name
- Undecene
- Name En
- Pubchem Id
- 13190
- Smiles Canonical
- CCCCCCCCCC=C
- Molecular Formula
- C11H22
- Molecular Weight
- 154.2970
- Inchikey
- DCTOHCCUXLBQMS-UHFFFAOYSA-N
- Inchi
- InChI=1S/C11H22/c1-3-5-7-9-11-10-8-6-4-2/h3H,1,4-11H2,2H3
- Isomeric Smiles
- CCCCCCCCCC=C
- Cas Id
- 821-95-4
- Ob Score
- 17.9900
- Mol Logp
- 4.3131
- Num H Donors
- 0
- Num H Acceptors
- 0
- Num Rotatable Bonds
- 8
- Drug Likeness
- 0.3610
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
1-Undecene
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
1-undecene
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
1-undecene
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
1-undecene
Role
preferred
Source
TCMBank
Preferred
Yes
Name
1-undecene
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Undecene
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Undecene
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Undecene
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Undecene
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
BAE ZHI
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
1-Hendecene
Role
alias
Source
HERB_v2
Preferred
No
Name
1-Hendecene
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-UNDECENE
Role
alias
Source
HERB_v2
Preferred
No
Name
1-UNDECENE
Role
alias
Source
itcmdb_public
Preferred
No
Name
821-95-4
Role
alias
Source
itcmdb_public
Preferred
No
Name
821-95-4
Role
alias
Source
HERB_v2
Preferred
No
Name
Undec-1-ene
Role
alias
Source
itcmdb_public
Preferred
No
Name
Undec-1-ene
Role
alias
Source
HERB_v2
Preferred
No
Name
Undecene
Role
alias
Source
itcmdb_public
Preferred
No
Name
Undecene
Role
alias
Source
HERB_v2
Preferred
No
Name
Undecene-1
Role
alias
Source
HERB_v2
Preferred
No
Name
Undecene-1
Role
alias
Source
itcmdb_public
Preferred
No
Name
alpha-Nonylethylene
Role
alias
Source
HERB_v2
Preferred
No
Name
alpha-Nonylethylene
Role
alias
Source
itcmdb_public
Preferred
No
Name
alpha-Undecene
Role
alias
Source
itcmdb_public
Preferred
No
Name
alpha-Undecene
Role
alias
Source
HERB_v2
Preferred
No
Name
alpha-Undecylene
Role
alias
Source
HERB_v2
Preferred
No
Name
alpha-Undecylene
Role
alias
Source
itcmdb_public
Preferred
No
Name
n-1-Undecene
Role
alias
Source
HERB_v2
Preferred
No
Name
n-1-Undecene
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
1-UndeceneBAE ZHI1-Hendecene821-95-4Undec-1-eneUndecene-1alpha-Nonylethylenealpha-Undecenealpha-Undecylenen-1-Undecene
Cross References
Trusted external identifiers retained for this final record.
Cas
821-95-4
Herb
HBIN003364HBIN047539HBIN047540
Npass
NPC159728NPC305208
Tcmid
2220423746
Tcmsp
MOL004790
Sym Map
SMIT01876SMIT06645SMIT18131
Tcm Id
2682699089
Pub Chem
13190
Tcmbank
TCMBANKIN044474TCMBANKIN060990
Etcm Ingredient
1-undecene
Itcmdb Generated
ITX-INGREDIENT-0B67E98421E6ITX-INGREDIENT-1BB1D634C5DEITX-INGREDIENT-8E7F3CD5343B
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C11H22/c1-3-5-7-9-11-10-8-6-4-2/h3H,1,4-11H2,2H3
Mol Wt
154.297
Cas Id
821-95-4
Smiles
CCCCCCCCCC=C
Mol Log P
4.313100000000004
Version
v1,v2
In Ch Ikey
DCTOHCCUXLBQMS-UHFFFAOYSA-N
Ob Score
17.98995181
Suppress
01
Tcm Name2
BAE ZHI
Mol2 Path
/TCM_database/2007_3d_all/22220.mol2
Reference
2
Num Hdonors
0
Drug Likeness
0.361
Num Hacceptors
0
Isomeric Smiles
CCCCCCCCCC=C
Molecule Weight
154.295|154.33
Canonical Smiles
CCCCCCCCCC=C
Herb Alias Names
821-95-4Undec-1-enen-1-Undecene1-HendeceneUndecenealpha-Undecenealpha-Undecylenealpha-NonylethyleneUndecene-1
Molecular Weight
154.170
Molecular Weight
154.29
Molecule Formula
C11H22
Molecular Formula
C11H22
Molecular Formula
C11H22
Molecular Formula
C11H22
Num Rotatable Bonds
8
Link Ingredient Id
1876.0
Fda Maximum Daily Dose (Fdamdd)
0.030
Quantitative Estimate Of Drug Likeness（Qed）
0.361