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: 2Ingredient: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 16369
- Core Entity Id
- 21365
- Source Entity Count
- 1
- Preferred Name
- Decinine
- Name En
- Pubchem Id
- 560912
- Smiles Canonical
- COC1=C(C=C2C(=C1)C3CC(CC4N3CCCC4)OC(=O)CCC5=CC2=C(C=C5)O)OC
- Molecular Formula
- C10H14
- Molecular Weight
- 134.2220
- Inchikey
- TWNSNUSORGVGBI-UHFFFAOYSA-N
- Inchi
- InChI=1S/C10H14/c1-3-5-7-9-10-8-6-4-2/h1H,4,6,8-10H2,2H3
- Isomeric Smiles
- CCCCCCC#CC#C
- Cas Id
- Ob Score
- Mol Logp
- 2.5934
- Num H Donors
- 0
- Num H Acceptors
- 0
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.4090
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Decinine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Decinine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Decinine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
decinine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
1,3-Decadiyne
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,3-Decadiyne
Role
alias
Source
HERB_v2
Preferred
No
Name
55682-66-1
Role
alias
Source
HERB_v2
Preferred
No
Name
55682-66-1
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID30340027
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID30340027
Role
alias
Source
itcmdb_public
Preferred
No
Name
TWNSNUSORGVGBI-UHFFFAOYSA-N
Role
alias
Source
HERB_v2
Preferred
No
Name
TWNSNUSORGVGBI-UHFFFAOYSA-N
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
1,3-Decadiyne55682-66-1DTXSID30340027TWNSNUSORGVGBI-UHFFFAOYSA-N
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN022921
Npass
NPC25692
Tcmid
4847
Pub Chem
560912
Tcmbank
TCMBANKIN007249
Etcm Ingredient
Decinine
Itcmdb Generated
ITX-INGREDIENT-6DA30CB396A0
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C10H14/c1-3-5-7-9-10-8-6-4-2/h1H,4,6,8-10H2,2H3
Mol Wt
134.222
Smiles
COC1=C(C=C2C(=C1)C3CC(CC4N3CCCC4)OC(=O)CCC5=CC2=C(C=C5)O)OC
Mol Log P
2.593400000000001
In Ch Ikey
TWNSNUSORGVGBI-UHFFFAOYSA-N
Num Hdonors
0
Drug Likeness
0.409
Num Hacceptors
0
Isomeric Smiles
CCCCCCC#CC#C
Canonical Smiles
CCCCCCC#CC#C
Herb Alias Names
1,3-Decadiyne55682-66-1DTXSID30340027TWNSNUSORGVGBI-UHFFFAOYSA-N
Molecular Weight
437.220
Molecular Formula
C26H31NO5
Molecular Formula
C26H31NO5
Molecular Formula
C10H14
Num Rotatable Bonds
4
Fda Maximum Daily Dose (Fdamdd)
0.970
Quantitative Estimate Of Drug Likeness（Qed）
0.692