Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 6Ingredient: 1Target: 7Links: 13
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 11522
- Core Entity Id
- 15975
- Source Entity Count
- 1
- Preferred Name
- Artemisia triene
- Name En
- Pubchem Id
- 5320377
- Smiles Canonical
- CC(=C)C=CC(C)(C)C=C
- Molecular Formula
- C10H16
- Molecular Weight
- 136.2380
- Inchikey
- BYLJEQIUXOYKOB-BQYQJAHWSA-N
- Inchi
- InChI=1S/C10H16/c1-6-10(4,5)8-7-9(2)3/h6-8H,1-2H2,3-5H3/b8-7+
- Isomeric Smiles
- CC(=C)/C=C/C(C)(C)C=C
- Cas Id
- 29548-02-5
- Ob Score
- 42.0998
- Mol Logp
- 3.3309
- Num H Donors
- 0
- Num H Acceptors
- 0
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.4120
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Artemisia Triene
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Artemisia Triene
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Artemisia triene
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Artemisia triene
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Artemisia triene
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Artemisia triene
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
黏蒿
Role
TCM_name
Source
TCMBank
Preferred
No
Name
NIAN HAO
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Viscid Wormwood*
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
(3E)-2,5,5-trimethylhepta-1,3,6-triene
Role
alias
Source
itcmdb_public
Preferred
No
Name
(3E)-2,5,5-trimethylhepta-1,3,6-triene
Role
alias
Source
TCMBank
Preferred
No
Name
(3E)-2,5,5-trimethylhepta-1,3,6-triene
Role
alias
Source
HERB_v2
Preferred
No
Name
1,3,6-Heptatriene, 2,5,5-trimethyl-
Role
alias
Source
TCMBank
Preferred
No
Name
1,3,6-Heptatriene, 2,5,5-trimethyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
1,3,6-Heptatriene, 2,5,5-trimethyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
2,5,5-trimethyl-1,3,6-heptatriene
Role
alias
Source
HERB_v2
Preferred
No
Name
2,5,5-trimethyl-1,3,6-heptatriene
Role
alias
Source
itcmdb_public
Preferred
No
Name
29548-02-5
Role
alias
Source
HERB_v2
Preferred
No
Name
29548-02-5
Role
alias
Source
itcmdb_public
Preferred
No
Name
Artemesia triene
Role
alias
Source
itcmdb_public
Preferred
No
Name
Artemesia triene
Role
alias
Source
TCMBank
Preferred
No
Name
Artemesia triene
Role
alias
Source
HERB_v2
Preferred
No
Name
Artemisiatriene
Role
alias
Source
itcmdb_public
Preferred
No
Name
Artemisiatriene
Role
alias
Source
HERB_v2
Preferred
No
Name
BYLJEQIUXOYKOB-BQYQJAHWSA-N
Role
alias
Source
itcmdb_public
Preferred
No
Name
BYLJEQIUXOYKOB-BQYQJAHWSA-N
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:230350
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:230350
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID301316683
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID301316683
Role
alias
Source
HERB_v2
Preferred
No
Name
artemisia triene
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
黏蒿NIAN HAOViscid Wormwood*(3E)-2,5,5-trimethylhepta-1,3,6-triene1,3,6-Heptatriene, 2,5,5-trimethyl-2,5,5-trimethyl-1,3,6-heptatriene29548-02-5Artemesia trieneArtemisiatrieneBYLJEQIUXOYKOB-BQYQJAHWSA-NCHEBI:230350DTXSID301316683
Cross References
Trusted external identifiers retained for this final record.
Cas
29548-02-5
Herb
HBIN016955
Npass
NPC284174
Tcmid
1796
Tcmsp
MOL002119
Sym Map
SMIT04422
Pub Chem
5320377
Tcmbank
TCMBANKIN049783
Etcm Ingredient
Artemisia triene
Itcmdb Generated
ITX-INGREDIENT-A46D7781483A
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C10H16/c1-6-10(4,5)8-7-9(2)3/h6-8H,1-2H2,3-5H3/b8-7+
Mol Wt
136.238
Cas Id
29548-02-5
Mol Log P
3.330900000000002
Version
v1,v2
In Ch Ikey
BYLJEQIUXOYKOB-BQYQJAHWSA-N
Ob Score
42.0997968342.09979742.1
Suppress
0
Tcm Name
黏蒿
Tcm Name2
NIAN HAO
Mol2 Path
/TCM_database/2007_3d_all/01796.mol2
Reference
1980
Num Hdonors
0
Tcm Name En
Viscid Wormwood*
Drug Likeness
0.412
Num Hacceptors
0
Isomeric Smiles
CC(=C)/C=C/C(C)(C)C=C
Molecule Weight
136.26
Canonical Smiles
CC(=C)C=CC(C)(C)C=C
Herb Alias Names
Artemisiatriene(3E)-2,5,5-trimethylhepta-1,3,6-trieneArtemesia triene2,5,5-trimethyl-1,3,6-heptatriene29548-02-51,3,6-Heptatriene, 2,5,5-trimethyl-BYLJEQIUXOYKOB-BQYQJAHWSA-NCHEBI:230350DTXSID301316683
Molecular Weight
136.130
Molecular Weight
136.23
Molecular Formula
C10H16
Molecular Formula
C10H16
Num Rotatable Bonds
3
Fda Maximum Daily Dose (Fdamdd)
0.510
Quantitative Estimate Of Drug Likeness（Qed）
0.412