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
- 1284
- Core Entity Id
- 4620
- Source Entity Count
- 1
- Preferred Name
- 2,6-dimethyl-octa-2,6-dien-1-ol
- Name En
- Pubchem Id
- 5363122
- Smiles Canonical
- CC=C(C)CCC=C(C)CO
- Molecular Formula
- C10H18O
- Molecular Weight
- 154.2530
- Inchikey
- YBMZLRMHVXVHJG-SXFWLWNESA-N
- Inchi
- InChI=1S/C10H18O/c1-4-9(2)6-5-7-10(3)8-11/h4,7,11H,5-6,8H2,1-3H3/b9-4+,10-7+
- Isomeric Smiles
- C/C=C(\C)/CC/C=C(\C)/CO
- Cas Id
- Ob Score
- Mol Logp
- 2.6714
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.6170
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2, 6-Dimethyl-octa-2, 6-dien-1-ol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2,6-dimethyl-octa-2,6-dien-1-ol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
2,6-dimethyl-octa-2,6-dien-1-ol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(2E,6E)-2,6-Dimethyl-2,6-octadien-1-ol #
Role
alias
Source
HERB_v2
Preferred
No
Name
(2E,6E)-2,6-Dimethyl-2,6-octadien-1-ol #
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL1537137
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL1537137
Role
alias
Source
itcmdb_public
Preferred
No
Name
YBMZLRMHVXVHJG-SXFWLWNESA-N
Role
alias
Source
HERB_v2
Preferred
No
Name
YBMZLRMHVXVHJG-SXFWLWNESA-N
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
2, 6-Dimethyl-octa-2, 6-dien-1-ol(2E,6E)-2,6-Dimethyl-2,6-octadien-1-ol #SCHEMBL1537137YBMZLRMHVXVHJG-SXFWLWNESA-N
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN004934
Npass
NPC245229
Tcmid
40986
Pub Chem
5363122
Tcmbank
TCMBANKIN021161
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C10H18O/c1-4-9(2)6-5-7-10(3)8-11/h4,7,11H,5-6,8H2,1-3H3/b9-4+,10-7+
Mol Wt
154.253
Smiles
CC=C(C)CCC=C(C)CO
Mol Log P
2.671400000000002
In Ch Ikey
YBMZLRMHVXVHJG-SXFWLWNESA-N
Num Hdonors
1
Drug Likeness
0.617
Num Hacceptors
1
Isomeric Smiles
C/C=C(\C)/CC/C=C(\C)/CO
Canonical Smiles
CC=C(C)CCC=C(C)CO
Herb Alias Names
SCHEMBL1537137YBMZLRMHVXVHJG-SXFWLWNESA-N(2E,6E)-2,6-Dimethyl-2,6-octadien-1-ol #
Molecular Weight
154.25 g/mol
Molecular Formula
C10H18O
Molecular Formula
C10H18O
Num Rotatable Bonds
4