Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 12Ingredient: 1Target: 1Links: 13
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 38788
- Core Entity Id
- 67923
- Source Entity Count
- 1
- Preferred Name
- (e)-beta-farnesene
- Name En
- Pubchem Id
- 10407
- Smiles Canonical
- CC(=CCCC(=CCCC(=C)C=C)C)C
- Molecular Formula
- C15H24
- Molecular Weight
- 204.3570
- Inchikey
- JSNRRGGBADWTMC-NTCAYCPXSA-N
- Inchi
- InChI=1S/C15H24/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h6,9,12H,1,4,7-8,10-11H2,2-3,5H3
- Isomeric Smiles
- CC(=CCC/C(=C/CCC(=C)C=C)/C)C
- Cas Id
- Ob Score
- 6.8090
- Mol Logp
- 5.2015
- Num H Donors
- 0
- Num H Acceptors
- 0
- Num Rotatable Bonds
- 7
- Drug Likeness
- 0.3950
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(E)-Beta-Farnesene
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
(e)-beta-farnesene
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(e)-beta-farnesene
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
1,6,10-dodecatriene,7,11-dimethyl-3-methylene-
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
1,6,10-dodecatriene-7,11-dimethyl-3-methylene
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
1,6,10-dodecatriene-7,11-dimethyl-3-methylene
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(6E)-7,11-dimethyl-3-methylidenedodeca-1,6,10-triene
Role
alias
Source
HERB_v2
Preferred
No
Name
(6E)-7,11-dimethyl-3-methylidenedodeca-1,6,10-triene
Role
alias
Source
itcmdb_public
Preferred
No
Name
(E)-
Role
alias
Source
HERB_v2
Preferred
No
Name
(E)-.beta.-Farnesene
Role
alias
Source
itcmdb_public
Preferred
No
Name
(E)-7,11-Dimethyl-3-methylenedodeca-1,6,10-triene
Role
alias
Source
HERB_v2
Preferred
No
Name
(E)-7,11-Dimethyl-3-methylenedodeca-1,6,10-triene
Role
alias
Source
itcmdb_public
Preferred
No
Name
(E)-beta-farnesene
Role
alias
Source
HERB_v2
Preferred
No
Name
(E)-|A-Farnesene
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,6,10-Dodecatriene, 7,11-dimethyl-3-methylene-, (6E)-
Role
alias
Source
HERB_v2
Preferred
No
Name
1,6,10-Dodecatriene, 7,11-dimethyl-3-methylene-, (6E)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
18794-84-8
Role
alias
Source
HERB_v2
Preferred
No
Name
18794-84-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
7,11-Dimethyl-3-methylene-1,6,10-dodecatriene
Role
alias
Source
HERB_v2
Preferred
No
Name
7,11-Dimethyl-3-methylene-1,6,10-dodecatriene
Role
alias
Source
itcmdb_public
Preferred
No
Name
7,11-Dimethyl-3-methylenedodeca-1,6,10-triene
Role
alias
Source
HERB_v2
Preferred
No
Name
7,11-Dimethyl-3-methylenedodeca-1,6,10-triene
Role
alias
Source
itcmdb_public
Preferred
No
Name
7,11-dimethyl-3-methylidenedodeca-1,6,10-triene
Role
alias
Source
HERB_v2
Preferred
No
Name
7,11-dimethyl-3-methylidenedodeca-1,6,10-triene
Role
alias
Source
itcmdb_public
Preferred
No
Name
A-Farnesene
Role
alias
Source
HERB_v2
Preferred
No
Name
BETA-FARNESENE
Role
alias
Source
HERB_v2
Preferred
No
Name
BETA-FARNESENE
Role
alias
Source
itcmdb_public
Preferred
No
Name
DB-044662
Role
alias
Source
HERB_v2
Preferred
No
Name
DB-044662
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID30860230
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID30860230
Role
alias
Source
itcmdb_public
Preferred
No
Name
NS00006241
Role
alias
Source
HERB_v2
Preferred
No
Name
NS00006241
Role
alias
Source
itcmdb_public
Preferred
No
Name
Q27119784
Role
alias
Source
HERB_v2
Preferred
No
Name
Q27119784
Role
alias
Source
itcmdb_public
Preferred
No
Name
b-farnesene
Role
alias
Source
HERB_v2
Preferred
No
Name
b-farnesene
Role
alias
Source
itcmdb_public
Preferred
No
Name
trans-beta-Farnesene
Role
alias
Source
HERB_v2
Preferred
No
Name
trans-beta-Farnesene
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
1,6,10-dodecatriene,7,11-dimethyl-3-methylene-1,6,10-dodecatriene-7,11-dimethyl-3-methylene(6E)-7,11-dimethyl-3-methylidenedodeca-1,6,10-triene(E)-(E)-.beta.-Farnesene(E)-7,11-Dimethyl-3-methylenedodeca-1,6,10-triene(E)-|A-Farnesene1,6,10-Dodecatriene, 7,11-dimethyl-3-methylene-, (6E)-18794-84-87,11-Dimethyl-3-methylene-1,6,10-dodecatriene7,11-Dimethyl-3-methylenedodeca-1,6,10-triene7,11-dimethyl-3-methylidenedodeca-1,6,10-trieneA-FarneseneBETA-FARNESENEDB-044662DTXSID30860230NS00006241Q27119784b-farnesenetrans-beta-Farnesene
Cross References
Trusted external identifiers retained for this final record.
Cas
18794-84-8
Herb
HBIN001737HBIN024760
Npass
NPC248726NPC288932
Tcmid
251272967433200345253513135143368373735838214398637729
Tcmsp
MOL011130
Sym Map
SMIT02426SMIT12066SMIT15383SMIT19057
Tcm Id
4306288
Pub Chem
104075281517
Etcm Ingredient
1,6,10-dodecatriene,7,11-dimethyl-3-methylene-
Itcmdb Generated
ITX-INGREDIENT-D9F0EA8E5B72
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C15H24/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h6,9,12H,1,4,7-8,10-11H2,2-3,5H3InChI=1S/C15H24/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h6,9,12H,1,4,7-8,10-11H2,2-3,5H3/b15-12+
Mol Wt
204.357
Mol Log P
5.201500000000005
Version
v1,v2
In Ch Ikey
JSNRRGGBADWTMC-NTCAYCPXSA-NJSNRRGGBADWTMC-UHFFFAOYSA-N
Ob Score
6.8096.809402408
Suppress
0
Num Hdonors
0
Drug Likeness
0.395
Num Hacceptors
0
Isomeric Smiles
CC(=CCC/C(=C/CCC(=C)C=C)/C)CCC(=CCCC(=CCCC(=C)C=C)C)C
Molecule Weight
206.41
Canonical Smiles
CC(=CCCC(=CCCC(=C)C=C)C)C
Herb Alias Names
(E)-beta-farnesene7,11-dimethyl-3-methylidenedodeca-1,6,10-trieneBETA-FARNESENE(E)-.beta.-Farnesene7,11-Dimethyl-3-methylene-1,6,10-dodecatrieneDTXSID30860230DB-044662NS00006241Q27119784
Molecular Weight
204.190
Molecular Formula
C15H24
Molecular Formula
C15H24
Num Rotatable Bonds
7
Fda Maximum Daily Dose (Fdamdd)
0.220
Quantitative Estimate Of Drug Likeness（Qed）
0.395