Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 2Links: 4
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 17782
- Core Entity Id
- 22937
- Source Entity Count
- 1
- Preferred Name
- (e)-5-methyloct-5-en-1-ol
- Name En
- Pubchem Id
- 6536854
- Smiles Canonical
- CCC=C(C)CCCCO
- Molecular Formula
- C9H18O
- Molecular Weight
- 142.2420
- Inchikey
- SAGBALOKGFKCER-RMKNXTFCSA-N
- Inchi
- InChI=1S/C9H18O/c1-3-6-9(2)7-4-5-8-10/h6,10H,3-5,7-8H2,1-2H3/b9-6+
- Isomeric Smiles
- CC/C=C(\C)/CCCCO
- Cas Id
- Ob Score
- 33.2390
- Mol Logp
- 2.5053
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 5
- Drug Likeness
- 0.4620
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(E)-5-Methyloct-5-En-1-Ol
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
(E)-5-Methyloct-5-En-1-Ol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
(E)-5-methyloct-5-en-1-ol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
(E)-5-methyloct-5-en-1-ol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(e)-5-methyloct-5-en-1-ol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(e)-5-methyloct-5-en-1-ol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN024719
Tcmsp
MOL011004
Sym Map
SMIT11963
Pub Chem
6536854
Tcmbank
TCMBANKIN007790
Etcm Ingredient
(E)-5-methyloct-5-en-1-ol
Itcmdb Generated
ITX-INGREDIENT-33B8B1DCE4E8
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C9H18O/c1-3-6-9(2)7-4-5-8-10/h6,10H,3-5,7-8H2,1-2H3/b9-6+
Mol Wt
142.242
Mol Log P
2.505300000000001
Version
v1,v2
In Ch Ikey
SAGBALOKGFKCER-RMKNXTFCSA-N
Ob Score
33.23933.2391569433.239157
Suppress
0
Num Hdonors
1
Drug Likeness
0.462
Num Hacceptors
1
Isomeric Smiles
CC/C=C(\C)/CCCCO
Molecule Weight
142.27
Canonical Smiles
CCC=C(C)CCCCO
Molecular Weight
142.140
Molecular Weight
142.27
Molecular Formula
C9H18O
Molecular Formula
C9H18O
Num Rotatable Bonds
5
Fda Maximum Daily Dose (Fdamdd)
0.014
Quantitative Estimate Of Drug Likeness（Qed）
0.462