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: 4Ingredient: 1Links: 4
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 17934
- Core Entity Id
- 23109
- Source Entity Count
- 1
- Preferred Name
- (e)-icos-3-ene
- Name En
- Pubchem Id
- 5365051
- Smiles Canonical
- CCCCCCCCCCCCCCCCC=CCC
- Molecular Formula
- C20H40
- Molecular Weight
- 280.5400
- Inchikey
- AKTLQTMAOYZJGI-FNORWQNLSA-N
- Inchi
- InChI=1S/C20H40/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2/h5,7H,3-4,6,8-20H2,1-2H3/b7-5+
- Isomeric Smiles
- CCCCCCCCCCCCCCCC/C=C/CC
- Cas Id
- 74685-33-9
- Ob Score
- 18.1870
- Mol Logp
- 7.8240
- Num H Donors
- 0
- Num H Acceptors
- 0
- Num Rotatable Bonds
- 16
- Drug Likeness
- 0.2000
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(E)-Icos-3-Ene
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
(E)-icos-3-ene
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
(e)-icos-3-ene
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
(e)-icos-3-ene
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(3E)-3-Icosene
Role
alias
Source
HERB_v2
Preferred
No
Name
(3E)-3-Icosene #
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-Eicosene, (E)-
Role
alias
Source
HERB_v2
Preferred
No
Name
3-Eicosene,(E)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-eicosene
Role
alias
Source
HERB_v2
Preferred
No
Name
3-eicosene
Role
alias
Source
itcmdb_public
Preferred
No
Name
74685-33-9
Role
alias
Source
HERB_v2
Preferred
No
Name
74685-33-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
AKTLQTMAOYZJGI-FNORWQNLSA-N
Role
alias
Source
HERB_v2
Preferred
No
Name
AKTLQTMAOYZJGI-FNORWQNLSA-N
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:151023
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:151023
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID90880873
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID90880873
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(3E)-3-Icosene(3E)-3-Icosene #3-Eicosene, (E)-3-Eicosene,(E)-3-eicosene74685-33-9AKTLQTMAOYZJGI-FNORWQNLSA-NCHEBI:151023DTXSID90880873
Cross References
Trusted external identifiers retained for this final record.
Cas
74685-33-9
Herb
HBIN024932HBIN008460
Tcmid
35453
Tcmsp
MOL007525
Sym Map
SMIT08940
Pub Chem
5365051
Tcmbank
TCMBANKIN061089
Etcm Ingredient
(E)-icos-3-ene3-eicosene
Itcmdb Generated
ITX-INGREDIENT-85C0BB7DE5A7ITX-INGREDIENT-CE05F5586FDE
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C20H40/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2/h5,7H,3-4,6,8-20H2,1-2H3/b7-5+
Mol Wt
280.54
Cas Id
74685-33-9
Smiles
CCCCCCCCCCCCCCCCC=CCC
Mol Log P
7.824000000000008
Version
v1,v2
In Ch Ikey
AKTLQTMAOYZJGI-FNORWQNLSA-N
Ob Score
18.18718.1873741
Suppress
0
Num Hdonors
0
Drug Likeness
0.2
Num Hacceptors
0
Isomeric Smiles
CCCCCCCCCCCCCCCC/C=C/CC
Molecule Weight
280.6
Canonical Smiles
CCCCCCCCCCCCCCCCC=CCC
Herb Alias Names
3-Eicosene, (E)-(3E)-3-Icosene74685-33-93-eicosene3-Eicosene,(E)-(3E)-3-Icosene #DTXSID90880873AKTLQTMAOYZJGI-FNORWQNLSA-NCHEBI:151023
Molecular Weight
280.310
Molecular Weight
280.53 g/mol
Molecular Formula
C20H40
Molecular Formula
C20H40
Molecular Formula
C20H40
Num Rotatable Bonds
16
Fda Maximum Daily Dose (Fdamdd)
0.027
Quantitative Estimate Of Drug Likeness（Qed）
0.200