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
- 8749
- Core Entity Id
- 12893
- Source Entity Count
- 1
- Preferred Name
- 8alpha-epoxymethylacrylyloxy-11,13-dihydro-parthenin
- Name En
- Pubchem Id
- 101009652
- Smiles Canonical
- CC1CC(C2C(C(=O)OC2C3(C1(C=CC3=O)O)C)C)OC(=O)C4(CO4)C
- Molecular Formula
- C19H24O7
- Molecular Weight
- 364.3940
- Inchikey
- BGWUJHGQDKSIKF-QQUFTUJPSA-N
- Inchi
- InChI=1S/C19H24O7/c1-9-7-11(25-16(22)17(3)8-24-17)13-10(2)15(21)26-14(13)18(4)12(20)5-6-19(9,18)23/h5-6,9-11,13-14,23H,7-8H2,1-4H3/t9-,10-,11-,13-,14+,17?,18-,19+/m0/s1
- Isomeric Smiles
- C[C@H]1C[C@@H]([C@@H]2[C@@H](C(=O)O[C@H]2[C@]3([C@]1(C=CC3=O)O)C)C)OC(=O)C4(CO4)C
- Cas Id
- Ob Score
- Mol Logp
- 0.7809
- Num H Donors
- 1
- Num H Acceptors
- 7
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.5700
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
8-alpha-Epoxymethylacrylyloxy-11,13-dihydroparthenin
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
8alpha-epoxymethylacrylyloxy-11,13-dihydro-parthenin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
8alpha-epoxymethylacrylyloxy-11,13-dihydro-parthenin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Aliases
Additional names normalized into the restored final schema.
8-alpha-Epoxymethylacrylyloxy-11,13-dihydroparthenin
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN013623
Tcmid
7170
Pub Chem
101009652
Etcm Ingredient
8-alpha-Epoxymethylacrylyloxy-11,13-dihydroparthenin
Itcmdb Generated
ITX-INGREDIENT-F196172A3442
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C19H24O7/c1-9-7-11(25-16(22)17(3)8-24-17)13-10(2)15(21)26-14(13)18(4)12(20)5-6-19(9,18)23/h5-6,9-11,13-14,23H,7-8H2,1-4H3/t9-,10-,11-,13-,14+,17?,18-,19+/m0/s1
Mol Wt
364.3940000000002
Mol Log P
0.7808999999999997
In Ch Ikey
BGWUJHGQDKSIKF-QQUFTUJPSA-N
Num Hdonors
1
Drug Likeness
0.57
Num Hacceptors
7
Isomeric Smiles
C[C@H]1C[C@@H]([C@@H]2[C@@H](C(=O)O[C@H]2[C@]3([C@]1(C=CC3=O)O)C)C)OC(=O)C4(CO4)C
Canonical Smiles
CC1CC(C2C(C(=O)OC2C3(C1(C=CC3=O)O)C)C)OC(=O)C4(CO4)C
Molecular Weight
364.150
Molecular Formula
C19H24O7
Molecular Formula
C19H24O7
Num Rotatable Bonds
2
Fda Maximum Daily Dose (Fdamdd)
0.892
Quantitative Estimate Of Drug Likeness（Qed）
0.570