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
- 24258
- Core Entity Id
- 30149
- Source Entity Count
- 1
- Preferred Name
- L-beta-artemisia alcohol acetate
- Name En
- Pubchem Id
- 14890510
- Smiles Canonical
- CC(=CC(C(C)(C)C=C)OC(=O)C)C
- Molecular Formula
- C12H20O2
- Molecular Weight
- 196.2900
- Inchikey
- NGIKFWJEQGLTBM-NSHDSACASA-N
- Inchi
- InChI=1S/C12H20O2/c1-7-12(5,6)11(8-9(2)3)14-10(4)13/h7-8,11H,1H2,2-6H3/t11-/m0/s1
- Isomeric Smiles
- CC(=C[C@@H](C(C)(C)C=C)OC(=O)C)C
- Cas Id
- Ob Score
- Mol Logp
- 3.0965
- Num H Donors
- 0
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.5100
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
L-beta-artemisia alcohol acetate
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
L-beta-artemisia alcohol acetate
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
l-β-artemisia alcohol acetate
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
l-β-artemisia alcohol acetate
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN032798
Npass
NPC211631
Tcmid
1794
Pub Chem
14890510
Tcmbank
TCMBANKIN058734
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C12H20O2/c1-7-12(5,6)11(8-9(2)3)14-10(4)13/h7-8,11H,1H2,2-6H3/t11-/m0/s1
Mol Wt
196.29
Smiles
CC(=CC(C(C)(C)C=C)OC(=O)C)C
Mol Log P
3.096500000000002
In Ch Ikey
NGIKFWJEQGLTBM-NSHDSACASA-N
Num Hdonors
0
Drug Likeness
0.51
Num Hacceptors
2
Isomeric Smiles
CC(=C[C@@H](C(C)(C)C=C)OC(=O)C)C
Canonical Smiles
CC(=CC(C(C)(C)C=C)OC(=O)C)C
Molecular Weight
196.29 g/mol
Molecular Formula
C12H20O2
Molecular Formula
C12H20O2
Num Rotatable Bonds
4