Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 38786
- Core Entity Id
- 67901
- Source Entity Count
- 1
- Preferred Name
- 1,6,10-dodecatrien-3-o-1,3,7,11-trimethy-1
- Name En
- Pubchem Id
- 12097319
- Smiles Canonical
- CC(CCC=C(C)CCC=C(C)C)C=C
- Molecular Formula
- C15H26
- Molecular Weight
- 206.3730
- Inchikey
- YSNRTFFURISHOU-NTCAYCPXSA-N
- Inchi
- InChI=1S/C15H26/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h6,9,12,14H,1,7-8,10-11H2,2-5H3/b15-12+
- Isomeric Smiles
- CC(CC/C=C(\C)/CCC=C(C)C)C=C
- Cas Id
- Ob Score
- Mol Logp
- 5.2814
- Num H Donors
- 0
- Num H Acceptors
- 0
- Num Rotatable Bonds
- 7
- Drug Likeness
- 0.4970
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
1,6,10-dodecatrien-3-o-1,3,7,11-trimethy-1
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
1,6,10-dodecatrien-3-o-1,3,7,11-trimethy-1
Role
preferred
Source
TCMBank
Preferred
Yes
Name
1,6,10-dodecatrien-3-o-1,3,7,11-trimethy-1
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
3,7,11-trimethyldodeca-1,6,10-triene
Role
alias
Source
HERB_v2
Preferred
No
Name
3,7,11-trimethyldodeca-1,6,10-triene
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
3,7,11-trimethyldodeca-1,6,10-triene
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN001734
Tcmid
34527
Pub Chem
12097319
Tcmbank
TCMBANKIN010620
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C15H26/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h6,9,12,14H,1,7-8,10-11H2,2-5H3/b15-12+
Mol Wt
206.373
Smiles
CC(CCC=C(C)CCC=C(C)C)C=C
Mol Log P
5.281400000000005
In Ch Ikey
YSNRTFFURISHOU-NTCAYCPXSA-N
Num Hdonors
0
Drug Likeness
0.497
Num Hacceptors
0
Isomeric Smiles
CC(CC/C=C(\C)/CCC=C(C)C)C=C
Canonical Smiles
CC(CCC=C(C)CCC=C(C)C)C=C
Herb Alias Names
3,7,11-trimethyldodeca-1,6,10-triene
Molecular Formula
C15H26
Molecular Formula
C15H26
Num Rotatable Bonds
7