Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 4Ingredient: 1Links: 4
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 17924
- Core Entity Id
- 23098
- Source Entity Count
- 1
- Preferred Name
- 10-heneicosene
- Name En
- Pubchem Id
- 5364553
- Smiles Canonical
- CCCCCCCCCCC=CCCCCCCCCC
- Molecular Formula
- C21H42
- Molecular Weight
- 294.5670
- Inchikey
- QOJGJKKHTRAFOK-XUTLUUPISA-N
- Inchi
- InChI=1S/C21H42/c1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2/h19,21H,3-18,20H2,1-2H3/b21-19+
- Isomeric Smiles
- CCCCCCCCCC/C=C/CCCCCCCCC
- Cas Id
- Ob Score
- 17.6380
- Mol Logp
- 8.2141
- Num H Donors
- 0
- Num H Acceptors
- 0
- Num Rotatable Bonds
- 17
- Drug Likeness
- 0.1870
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(E)-Henicos-10-Ene
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
10- Heneicosene
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
(E)-Henicos-10-Ene
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
(E)-henicos-10-ene
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
(e)-henicos-10-ene
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
(e)-henicos-10-ene
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
10- Heneicosene
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
10- heneicosene
Role
preferred
Source
TCMBank
Preferred
Yes
Name
10-heneicosene
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
10-heneicosene
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(10E)-10-Henicosene #
Role
alias
Source
itcmdb_public
Preferred
No
Name
(10E)-10-Henicosene #
Role
alias
Source
HERB_v2
Preferred
No
Name
10-Heneicosene
Role
alias
Source
itcmdb_public
Preferred
No
Name
10-Heneicosene
Role
alias
Source
HERB_v2
Preferred
No
Name
10-Heneicosene (c,t)
Role
alias
Source
HERB_v2
Preferred
No
Name
10-Heneicosene (c,t)
Role
alias
Source
itcmdb_public
Preferred
No
Name
95008-11-0
Role
alias
Source
HERB_v2
Preferred
No
Name
95008-11-0
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID80880867
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID80880867
Role
alias
Source
itcmdb_public
Preferred
No
Name
NS00096001
Role
alias
Source
HERB_v2
Preferred
No
Name
NS00096001
Role
alias
Source
itcmdb_public
Preferred
No
Name
QOJGJKKHTRAFOK-XUTLUUPISA-N
Role
alias
Source
HERB_v2
Preferred
No
Name
QOJGJKKHTRAFOK-XUTLUUPISA-N
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(E)-Henicos-10-Ene10- Heneicosene(10E)-10-Henicosene #10-Heneicosene (c,t)95008-11-0DTXSID80880867NS00096001QOJGJKKHTRAFOK-XUTLUUPISA-N
Cross References
Trusted external identifiers retained for this final record.
Cas
6703-78-2
Herb
HBIN000122HBIN024915
Npass
NPC289480
Tcmid
3390337228
Tcmsp
MOL001813
Sym Map
SMIT04168SMIT20296
Pub Chem
5364553
Tcmbank
TCMBANKIN061002
Etcm Ingredient
(E)-henicos-10-ene
Itcmdb Generated
ITX-INGREDIENT-3C5267C4ED8EITX-INGREDIENT-4108A2D672E1
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C21H42/c1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2/h19,21H,3-18,20H2,1-2H3/b21-19+
Mol Wt
294.567
Smiles
CCCCCCCCCCC=CCCCCCCCCC
Mol Log P
8.214100000000007
Version
v1,v2v2
In Ch Ikey
QOJGJKKHTRAFOK-XUTLUUPISA-N
Ob Score
17.63817.63843301
Suppress
0
Num Hdonors
0
Drug Likeness
0.187
Num Hacceptors
0
Isomeric Smiles
CCCCCCCCCC/C=C/CCCCCCCCC
Molecule Weight
294.63
Canonical Smiles
CCCCCCCCCCC=CCCCCCCCCC
Herb Alias Names
10-Heneicosene (c,t)95008-11-0(10E)-10-Henicosene #DTXSID80880867QOJGJKKHTRAFOK-XUTLUUPISA-NNS00096001
Molecular Weight
294.330
Molecular Weight
294.6 g/mol
Molecular Formula
C21H42
Molecular Formula
C21H42
Molecular Formula
C21H42
Num Rotatable Bonds
17
Fda Maximum Daily Dose (Fdamdd)
0.033
Quantitative Estimate Of Drug Likeness（Qed）
0.187