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
- 5895
- Core Entity Id
- 9738
- Source Entity Count
- 1
- Preferred Name
- 4-decyne
- Name En
- Pubchem Id
- 16944
- Smiles Canonical
- CCCCCC#CCCC
- Molecular Formula
- C10H18
- Molecular Weight
- 138.2540
- Inchikey
- KVUNBQMRRNMQIZ-UHFFFAOYSA-N
- Inchi
- InChI=1S/C10H18/c1-3-5-7-9-10-8-6-4-2/h3-7,9H2,1-2H3
- Isomeric Smiles
- CCCCCC#CCCC
- Cas Id
- Ob Score
- Mol Logp
- 3.3702
- Num H Donors
- 0
- Num H Acceptors
- 0
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.4120
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
4-Decyne
Role
preferred
Source
TCMBank
Preferred
Yes
Name
4-decyne
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
4-decyne
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
2384-86-3
Role
alias
Source
HERB_v2
Preferred
No
Name
2384-86-3
Role
alias
Source
itcmdb_public
Preferred
No
Name
4-C10H18
Role
alias
Source
itcmdb_public
Preferred
No
Name
4-C10H18
Role
alias
Source
HERB_v2
Preferred
No
Name
AKOS006228976
Role
alias
Source
HERB_v2
Preferred
No
Name
AKOS006228976
Role
alias
Source
itcmdb_public
Preferred
No
Name
CAA38486
Role
alias
Source
HERB_v2
Preferred
No
Name
CAA38486
Role
alias
Source
itcmdb_public
Preferred
No
Name
DB-046264
Role
alias
Source
HERB_v2
Preferred
No
Name
DB-046264
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXCID90101035
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXCID90101035
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID30178544
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID30178544
Role
alias
Source
itcmdb_public
Preferred
No
Name
MFCD00039978
Role
alias
Source
itcmdb_public
Preferred
No
Name
MFCD00039978
Role
alias
Source
HERB_v2
Preferred
No
Name
dec-4-yne
Role
alias
Source
HERB_v2
Preferred
No
Name
dec-4-yne
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
2384-86-34-C10H18AKOS006228976CAA38486DB-046264DTXCID90101035DTXSID30178544MFCD00039978dec-4-yne
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN010311
Tcmid
32771
Pub Chem
16944
Tcmbank
TCMBANKIN018690
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C10H18/c1-3-5-7-9-10-8-6-4-2/h3-7,9H2,1-2H3
Mol Wt
138.254
Smiles
CCCCCC#CCCC
Mol Log P
3.370200000000002
In Ch Ikey
KVUNBQMRRNMQIZ-UHFFFAOYSA-N
Num Hdonors
0
Drug Likeness
0.412
Num Hacceptors
0
Isomeric Smiles
CCCCCC#CCCC
Canonical Smiles
CCCCCC#CCCC
Herb Alias Names
2384-86-3dec-4-yne4-C10H18DTXSID30178544MFCD00039978DTXCID90101035CAA38486AKOS006228976DB-046264
Molecular Weight
138.25 g/mol
Molecular Formula
C10H18
Molecular Formula
C10H18
Num Rotatable Bonds
4