IngredientID 8777
8beta,10beta-dihydroxy-6beta-methoxyeremophil-7(11)-en-12,8alpha-olide
C16H24O5
Relationship Network
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Herb: 2Ingredient: 1Target: 1Links: 4
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Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 8777
- Core Entity Id
- 12923
- Source Entity Count
- 1
- Preferred Name
- 8beta,10beta-dihydroxy-6beta-methoxyeremophil-7(11)-en-12,8alpha-olide
- Name En
- Pubchem Id
- 15840704
- Smiles Canonical
- CC1CCCC2(C1(C(C3=C(C(=O)OC3(C2)O)C)OC)C)O
- Molecular Formula
- C16H24O5
- Molecular Weight
- 296.3630
- Inchikey
- KIJIXRMZCFRLDC-KTBXZTKVSA-N
- Inchi
- InChI=1S/C16H24O5/c1-9-6-5-7-15(18)8-16(19)11(10(2)13(17)21-16)12(20-4)14(9,15)3/h9,12,18-19H,5-8H2,1-4H3/t9-,12+,14-,15-,16-/m0/s1
- Isomeric Smiles
- C[C@H]1CCC[C@]2([C@@]1([C@@H](C3=C(C(=O)O[C@]3(C2)O)C)OC)C)O
- Cas Id
- Ob Score
- Mol Logp
- 1.5244
- Num H Donors
- 2
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.7180
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
8-beta,10-beta-Dihydroxy-6-beta-methoxyeremophil-7(11)-en-12,8-alpha-olide
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
8beta,10beta-dihydroxy-6beta-methoxyeremophil-7(11)-en-12,8alpha-olide
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
8beta,10beta-dihydroxy-6beta-methoxyeremophil-7(11)-en-12,8alpha-olide
Role
preferred
Source
itcmdb_public
Preferred
Yes
Aliases
Additional names normalized into the restored final schema.
8-beta,10-beta-Dihydroxy-6-beta-methoxyeremophil-7(11)-en-12,8-alpha-olide
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN013648
Tcmid
5976
Pub Chem
15840704
Etcm Ingredient
8-beta,10-beta-Dihydroxy-6-beta-methoxyeremophil-7(11)-en-12,8-alpha-olide
Itcmdb Generated
ITX-INGREDIENT-F76701F4824E
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C16H24O5/c1-9-6-5-7-15(18)8-16(19)11(10(2)13(17)21-16)12(20-4)14(9,15)3/h9,12,18-19H,5-8H2,1-4H3/t9-,12+,14-,15-,16-/m0/s1
Mol Wt
296.363
Mol Log P
1.5244
In Ch Ikey
KIJIXRMZCFRLDC-KTBXZTKVSA-N
Num Hdonors
2
Drug Likeness
0.718
Num Hacceptors
5
Isomeric Smiles
C[C@H]1CCC[C@]2([C@@]1([C@@H](C3=C(C(=O)O[C@]3(C2)O)C)OC)C)O
Canonical Smiles
CC1CCCC2(C1(C(C3=C(C(=O)OC3(C2)O)C)OC)C)O
Molecular Weight
296.160
Molecular Formula
C16H24O5
Molecular Formula
C16H24O5
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.964
Quantitative Estimate Of Drug Likeness（Qed）
0.721