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
- 1580
- Core Entity Id
- 4946
- Source Entity Count
- 1
- Preferred Name
- 2alpha-hydroxyeupatolide
- Name En
- Pubchem Id
- 98051307
- Smiles Canonical
- CC1=CC2C(C(CC(=CC(C1)O)C)O)C(=C)C(=O)O2
- Molecular Formula
- C15H20O4
- Molecular Weight
- 264.3210
- Inchikey
- FGJATCOCAOQTBA-FLEJZSRNSA-N
- Inchi
- InChI=1S/C15H20O4/c1-8-4-11(16)5-9(2)7-13-14(12(17)6-8)10(3)15(18)19-13/h4,7,11-14,16-17H,3,5-6H2,1-2H3/b8-4+,9-7+/t11-,12+,13+,14+/m0/s1
- Isomeric Smiles
- C/C/1=C\[C@@H]2[C@@H]([C@@H](C/C(=C/[C@@H](C1)O)/C)O)C(=C)C(=O)O2
- Cas Id
- Ob Score
- Mol Logp
- 1.4924
- Num H Donors
- 2
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.3950
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2-alpha-Hydroxyeupatolide
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
2alpha-hydroxyeupatolide
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
2alpha-hydroxyeupatolide
Role
preferred
Source
itcmdb_public
Preferred
Yes
Aliases
Additional names normalized into the restored final schema.
2-alpha-Hydroxyeupatolide
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN005286
Npass
NPC155307
Tcmid
10113
Pub Chem
98051307
Etcm Ingredient
2-alpha-Hydroxyeupatolide
Itcmdb Generated
ITX-INGREDIENT-440E82664DFD
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C15H20O4/c1-8-4-11(16)5-9(2)7-13-14(12(17)6-8)10(3)15(18)19-13/h4,7,11-14,16-17H,3,5-6H2,1-2H3/b8-4+,9-7+/t11-,12+,13+,14+/m0/s1
Mol Wt
264.321
Mol Log P
1.4924
In Ch Ikey
FGJATCOCAOQTBA-FLEJZSRNSA-N
Num Hdonors
2
Drug Likeness
0.395
Num Hacceptors
4
Isomeric Smiles
C/C/1=C\[C@@H]2[C@@H]([C@@H](C/C(=C/[C@@H](C1)O)/C)O)C(=C)C(=O)O2
Canonical Smiles
CC1=CC2C(C(CC(=CC(C1)O)C)O)C(=C)C(=O)O2
Molecular Weight
262.120
Molecular Formula
C15H18O4
Molecular Formula
C15H20O4
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.965
Quantitative Estimate Of Drug Likeness（Qed）
0.509