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
- 9221
- Core Entity Id
- 13415
- Source Entity Count
- 1
- Preferred Name
- 9-oxofarnesyl acetate
- Name En
- Pubchem Id
- 129716175
- Smiles Canonical
- CC(=CC(=O)CC(=CCCC(=CCOC(=O)C)C)C)C
- Molecular Formula
- C17H26O3
- Molecular Weight
- 278.3920
- Inchikey
- WGBFUAXUABTOMO-UHFFFAOYSA-N
- Inchi
- InChI=1S/C17H26O3/c1-13(2)11-17(19)12-15(4)8-6-7-14(3)9-10-20-16(5)18/h8-9,11H,6-7,10,12H2,1-5H3
- Isomeric Smiles
- CC(=CC(=O)CC(=CCCC(=CCOC(=O)C)C)C)C
- Cas Id
- Ob Score
- Mol Logp
- 4.1477
- Num H Donors
- 0
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 8
- Drug Likeness
- 0.3800
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
9-Oxofarnesyl acetate
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
9-oxofarnesyl acetate
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
9-oxofarnesyl acetate
Role
preferred
Source
TCMBank
Preferred
Yes
Name
9-oxofarnesyl acetate
Role
preferred
Source
itcmdb_public
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN014174
Tcmid
16323
Pub Chem
129716175
Tcmbank
TCMBANKIN005200
Etcm Ingredient
9-Oxofarnesyl acetate
Itcmdb Generated
ITX-INGREDIENT-9A354A622C63
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C17H26O3/c1-13(2)11-17(19)12-15(4)8-6-7-14(3)9-10-20-16(5)18/h8-9,11H,6-7,10,12H2,1-5H3
Mol Wt
278.392
Smiles
CC(=CC(=O)CC(=CCCC(=CCOC(=O)C)C)C)C
Mol Log P
4.147700000000004
In Ch Ikey
WGBFUAXUABTOMO-UHFFFAOYSA-N
Num Hdonors
0
Drug Likeness
0.38
Num Hacceptors
3
Isomeric Smiles
CC(=CC(=O)CC(=CCCC(=CCOC(=O)C)C)C)C
Canonical Smiles
CC(=CC(=O)CC(=CCCC(=CCOC(=O)C)C)C)C
Molecular Weight
276.170
Molecular Weight
278.4 g/mol
Molecular Formula
C17H24O3
Molecular Formula
C17H26O3
Molecular Formula
C17H26O3
Num Rotatable Bonds
8
Fda Maximum Daily Dose (Fdamdd)
0.796
Quantitative Estimate Of Drug Likeness（Qed）
0.446