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
- 7533
- Core Entity Id
- 11554
- Source Entity Count
- 1
- Preferred Name
- 6beta-hydroxyeremophil-7(11)-en-12,8alpha-olide
- Name En
- Pubchem Id
- 14866156
- Smiles Canonical
- CC1CCCC2C1(C(C3=C(C(=O)OC3C2)C)O)C
- Molecular Formula
- C15H22O3
- Molecular Weight
- 250.3380
- Inchikey
- YDCNBSJHGGIZNP-UHFFFAOYSA-N
- Inchi
- InChI=1S/C15H22O3/c1-8-5-4-6-10-7-11-12(9(2)14(17)18-11)13(16)15(8,10)3/h8,10-11,13,16H,4-7H2,1-3H3
- Isomeric Smiles
- CC1CCCC2C1(C(C3=C(C(=O)OC3C2)C)O)C
- Cas Id
- Ob Score
- Mol Logp
- 2.4354
- Num H Donors
- 1
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.6720
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
6beta-hydroxyeremophil-7(11)-en-12,8alpha-olide
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
6beta-hydroxyeremophil-7(11)-en-12,8alpha-olide
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(6beta,8alpha)-6-Hydroxy-7(11)-eremophilen-12,8-olide
Role
alias
Source
itcmdb_public
Preferred
No
Name
(6beta,8alpha)-6-Hydroxy-7(11)-eremophilen-12,8-olide
Role
alias
Source
HERB_v2
Preferred
No
Name
4-hydroxy-3,4a,5-trimethyl-4,5,6,7,8,8a,9,9a-octahydrobenzo[][1]benzouran-2-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
4-hydroxy-3,4a,5-trimethyl-4,5,6,7,8,8a,9,9a-octahydrobenzo[][1]benzouran-2-one
Role
alias
Source
HERB_v2
Preferred
No
Name
6beta-Hydroxyeremphilenolide
Role
alias
Source
HERB_v2
Preferred
No
Name
6beta-Hydroxyeremphilenolide
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:174300
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:174300
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(6beta,8alpha)-6-Hydroxy-7(11)-eremophilen-12,8-olide4-hydroxy-3,4a,5-trimethyl-4,5,6,7,8,8a,9,9a-octahydrobenzo[][1]benzouran-2-one6beta-HydroxyeremphilenolideCHEBI:174300
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN012273
Tcmid
39120
Pub Chem
14866156
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C15H22O3/c1-8-5-4-6-10-7-11-12(9(2)14(17)18-11)13(16)15(8,10)3/h8,10-11,13,16H,4-7H2,1-3H3
Mol Wt
250.338
Mol Log P
2.4354
In Ch Ikey
YDCNBSJHGGIZNP-UHFFFAOYSA-N
Num Hdonors
1
Drug Likeness
0.672
Num Hacceptors
3
Isomeric Smiles
CC1CCCC2C1(C(C3=C(C(=O)OC3C2)C)O)C
Canonical Smiles
CC1CCCC2C1(C(C3=C(C(=O)OC3C2)C)O)C
Herb Alias Names
(6beta,8alpha)-6-Hydroxy-7(11)-eremophilen-12,8-olide6beta-HydroxyeremphilenolideCHEBI:1743004-hydroxy-3,4a,5-trimethyl-4,5,6,7,8,8a,9,9a-octahydrobenzo[][1]benzouran-2-one
Molecular Formula
C15H22O3
Num Rotatable Bonds
0