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
- 6413
- Core Entity Id
- 10307
- Source Entity Count
- 1
- Preferred Name
- 4-undecyne
- Name En
- Pubchem Id
- 143690
- Smiles Canonical
- CCCCCCC#CCCC
- Molecular Formula
- C11H20
- Molecular Weight
- 152.2810
- Inchikey
- RUEKFLJTCZKAMH-UHFFFAOYSA-N
- Inchi
- InChI=1S/C11H20/c1-3-5-7-9-11-10-8-6-4-2/h3-7,9,11H2,1-2H3
- Isomeric Smiles
- CCCCCCC#CCCC
- Cas Id
- Ob Score
- Mol Logp
- 3.7603
- Num H Donors
- 0
- Num H Acceptors
- 0
- Num Rotatable Bonds
- 5
- Drug Likeness
- 0.4150
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
4-Undecyne
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
4-Undecyne
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
4-undecyne
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
4-undecyne
Role
preferred
Source
TCMBank
Preferred
Yes
Name
4-undecyne
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
4-C11H20
Role
alias
Source
TCMBank
Preferred
No
Name
4-C11H20
Role
alias
Source
HERB_v2
Preferred
No
Name
4-C11H20
Role
alias
Source
SymMap_v2
Preferred
No
Name
4-C11H20
Role
alias
Source
itcmdb_public
Preferred
No
Name
4-Undecyne
Role
alias
Source
TCMBank
Preferred
No
Name
4-Undecyne
Role
alias
Source
SymMap_v2
Preferred
No
Name
60212-31-9
Role
alias
Source
TCMBank
Preferred
No
Name
60212-31-9
Role
alias
Source
HERB_v2
Preferred
No
Name
60212-31-9
Role
alias
Source
SymMap_v2
Preferred
No
Name
60212-31-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
AC1L3NPF
Role
alias
Source
SymMap_v2
Preferred
No
Name
AC1L3NPF
Role
alias
Source
TCMBank
Preferred
No
Name
AKOS006229391
Role
alias
Source
HERB_v2
Preferred
No
Name
AKOS006229391
Role
alias
Source
SymMap_v2
Preferred
No
Name
AKOS006229391
Role
alias
Source
TCMBank
Preferred
No
Name
AKOS006229391
Role
alias
Source
itcmdb_public
Preferred
No
Name
C-24930
Role
alias
Source
SymMap_v2
Preferred
No
Name
C-24930
Role
alias
Source
TCMBank
Preferred
No
Name
CC-20529
Role
alias
Source
SymMap_v2
Preferred
No
Name
CC-20529
Role
alias
Source
TCMBank
Preferred
No
Name
CTK2F7103
Role
alias
Source
SymMap_v2
Preferred
No
Name
CTK2F7103
Role
alias
Source
TCMBank
Preferred
No
Name
DB-053558
Role
alias
Source
TCMBank
Preferred
No
Name
DB-053558
Role
alias
Source
HERB_v2
Preferred
No
Name
DB-053558
Role
alias
Source
SymMap_v2
Preferred
No
Name
DB-053558
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXCID90131453
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXCID90131453
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID40208962
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID40208962
Role
alias
Source
SymMap_v2
Preferred
No
Name
DTXSID40208962
Role
alias
Source
TCMBank
Preferred
No
Name
DTXSID40208962
Role
alias
Source
itcmdb_public
Preferred
No
Name
FT-0619548
Role
alias
Source
SymMap_v2
Preferred
No
Name
FT-0619548
Role
alias
Source
TCMBank
Preferred
No
Name
I14-112486
Role
alias
Source
SymMap_v2
Preferred
No
Name
I14-112486
Role
alias
Source
TCMBank
Preferred
No
Name
KB-40535
Role
alias
Source
SymMap_v2
Preferred
No
Name
KB-40535
Role
alias
Source
TCMBank
Preferred
No
Name
MFCD00049131
Role
alias
Source
HERB_v2
Preferred
No
Name
MFCD00049131
Role
alias
Source
SymMap_v2
Preferred
No
Name
MFCD00049131
Role
alias
Source
TCMBank
Preferred
No
Name
MFCD00049131
Role
alias
Source
itcmdb_public
Preferred
No
Name
NS00096041
Role
alias
Source
HERB_v2
Preferred
No
Name
NS00096041
Role
alias
Source
itcmdb_public
Preferred
No
Name
RUEKFLJTCZKAMH-UHFFFAOYSA-N
Role
alias
Source
SymMap_v2
Preferred
No
Name
RUEKFLJTCZKAMH-UHFFFAOYSA-N
Role
alias
Source
TCMBank
Preferred
No
Name
SBB009001
Role
alias
Source
SymMap_v2
Preferred
No
Name
SBB009001
Role
alias
Source
TCMBank
Preferred
No
Name
ZINC2564178
Role
alias
Source
SymMap_v2
Preferred
No
Name
ZINC2564178
Role
alias
Source
TCMBank
Preferred
No
Name
undec-4-yne
Role
alias
Source
HERB_v2
Preferred
No
Name
undec-4-yne
Role
alias
Source
SymMap_v2
Preferred
No
Name
undec-4-yne
Role
alias
Source
TCMBank
Preferred
No
Name
undec-4-yne
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
4-C11H2060212-31-9AC1L3NPFAKOS006229391C-24930CC-20529CTK2F7103DB-053558DTXCID90131453DTXSID40208962FT-0619548I14-112486KB-40535MFCD00049131NS00096041RUEKFLJTCZKAMH-UHFFFAOYSA-NSBB009001ZINC2564178undec-4-yne
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN010929
Npass
NPC289420
Tcmid
24433
Sym Map
SMIT18612
Tcm Id
7742
Pub Chem
143690
Tcmbank
TCMBANKIN025881
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C11H20/c1-3-5-7-9-11-10-8-6-4-2/h3-7,9,11H2,1-2H3
Mol Wt
152.281
Smiles
CCCCCCC#CCCC
Mol Log P
3.760300000000003
Version
v1,v2
In Ch Ikey
RUEKFLJTCZKAMH-UHFFFAOYSA-N
Suppress
0
Num Hdonors
0
Drug Likeness
0.415
Num Hacceptors
0
Isomeric Smiles
CCCCCCC#CCCC
Canonical Smiles
CCCCCCC#CCCC
Herb Alias Names
undec-4-yne60212-31-94-C11H20DTXSID40208962DTXCID90131453MFCD00049131AKOS006229391DB-053558NS00096041
Molecular Weight
152.28 g/mol
Molecular Formula
C11H20
Molecular Formula
C11H20
Num Rotatable Bonds
5