Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 17897
- Core Entity Id
- 23068
- Source Entity Count
- 1
- Preferred Name
- E,e,e)-3,7,11,15-tetramethylhexadeca-1,3,6,10,14-pentaene
- Name En
- Pubchem Id
- 5365883
- Smiles Canonical
- CC(=CCCC(=CCCC(=CCC=C(C)C=C)C)C)C
- Molecular Formula
- C20H32
- Molecular Weight
- 272.4760
- Inchikey
- KFHRKQVLZRJWNB-OBHWEXPVSA-N
- Inchi
- InChI=1S/C20H32/c1-7-18(4)12-9-14-20(6)16-10-15-19(5)13-8-11-17(2)3/h7,11-12,14-15H,1,8-10,13,16H2,2-6H3/b18-12+,19-15+,20-14+
- Isomeric Smiles
- CC(=CCC/C(=C/CC/C(=C/C/C=C(\C)/C=C)/C)/C)C
- Cas Id
- Ob Score
- Mol Logp
- 6.9280
- Num H Donors
- 0
- Num H Acceptors
- 0
- Num Rotatable Bonds
- 9
- Drug Likeness
- 0.3150
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
E,E,E)-3,7,11,15-Tetramethylhexadeca-1,3,6,10,14-pentaene
Role
preferred
Source
TCMBank
Preferred
Yes
Name
E,e,e)-3,7,11,15-tetramethylhexadeca-1,3,6,10,14-pentaene
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
E,e,e)-3,7,11,15-tetramethylhexadeca-1,3,6,10,14-pentaene
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
(3E,6E,10E)-3,7,11,15-Tetramethyl-1,3,6,10,14-hexadecapentaene
Role
alias
Source
itcmdb_public
Preferred
No
Name
(3E,6E,10E)-3,7,11,15-Tetramethyl-1,3,6,10,14-hexadecapentaene
Role
alias
Source
HERB_v2
Preferred
No
Name
(E,E,E)- .alpha.-Springene
Role
alias
Source
itcmdb_public
Preferred
No
Name
(E,E,E)-3,7,11,15-Tetramethylhexadeca-1,3,6,10,14-pentaene
Role
alias
Source
itcmdb_public
Preferred
No
Name
(E,E,E)-3,7,11,15-Tetramethylhexadeca-1,3,6,10,14-pentaene
Role
alias
Source
HERB_v2
Preferred
No
Name
(E,E,E)-alpha-springene
Role
alias
Source
HERB_v2
Preferred
No
Name
.alpha.-Springene
Role
alias
Source
itcmdb_public
Preferred
No
Name
77898-97-6
Role
alias
Source
itcmdb_public
Preferred
No
Name
77898-97-6
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:192746
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:192746
Role
alias
Source
itcmdb_public
Preferred
No
Name
KFHRKQVLZRJWNB-OBHWEXPVSA-N
Role
alias
Source
HERB_v2
Preferred
No
Name
KFHRKQVLZRJWNB-OBHWEXPVSA-N
Role
alias
Source
itcmdb_public
Preferred
No
Name
alpha-springene
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(3E,6E,10E)-3,7,11,15-Tetramethyl-1,3,6,10,14-hexadecapentaene(E,E,E)- .alpha.-Springene(E,E,E)-3,7,11,15-Tetramethylhexadeca-1,3,6,10,14-pentaene(E,E,E)-alpha-springene.alpha.-Springene77898-97-6CHEBI:192746KFHRKQVLZRJWNB-OBHWEXPVSA-Nalpha-springene
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN024878
Npass
NPC199894
Tcmid
41006
Pub Chem
5365883
Tcmbank
TCMBANKIN021546
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C20H32/c1-7-18(4)12-9-14-20(6)16-10-15-19(5)13-8-11-17(2)3/h7,11-12,14-15H,1,8-10,13,16H2,2-6H3/b18-12+,19-15+,20-14+
Mol Wt
272.476
Smiles
CC(=CCCC(=CCCC(=CCC=C(C)C=C)C)C)C
Mol Log P
6.928000000000006
In Ch Ikey
KFHRKQVLZRJWNB-OBHWEXPVSA-N
Num Hdonors
0
Drug Likeness
0.315
Num Hacceptors
0
Isomeric Smiles
CC(=CCC/C(=C/CC/C(=C/C/C=C(\C)/C=C)/C)/C)C
Canonical Smiles
CC(=CCCC(=CCCC(=CCC=C(C)C=C)C)C)C
Herb Alias Names
alpha-springene(E,E,E)-3,7,11,15-Tetramethylhexadeca-1,3,6,10,14-pentaene(3E,6E,10E)-3,7,11,15-Tetramethyl-1,3,6,10,14-hexadecapentaeneAlpha Springene.alpha.-Springene(E,E,E)-alpha-springene(E,E,E)- .alpha.-SpringeneCHEBI:192746KFHRKQVLZRJWNB-OBHWEXPVSA-N77898-97-6
Molecular Formula
C20H32
Molecular Formula
C20H32
Num Rotatable Bonds
9