Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 5Ingredient: 1Target: 3Links: 9
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 38744
- Core Entity Id
- 67494
- Source Entity Count
- 1
- Preferred Name
- (+)-1,5-epoxy-nor-ketoguaia-11-ene
- Name En
- Pubchem Id
- 5317152
- Smiles Canonical
- CC1CCC23C1(O2)CC(CCC3=O)C(=C)C
- Molecular Formula
- C14H20O2
- Molecular Weight
- 220.3120
- Inchikey
- PVZOTDQMEIOVQO-UHFFFAOYSA-N
- Inchi
- InChI=1S/C14H20O2/c1-9(2)11-4-5-12(15)13-7-6-10(3)14(13,8-11)16-13/h10-11H,1,4-8H2,2-3H3
- Isomeric Smiles
- CC1CCC23C1(O2)CC(CCC3=O)C(=C)C
- Cas Id
- Ob Score
- 62.8449
- Mol Logp
- 2.8694
- Num H Donors
- 0
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.5020
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(+)-1,5-Epoxy-Nor-Ketoguaia-11-Ene
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
(+)-1,5-Epoxy-nor-ketoguaia-11-ene
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(+)-1,5-Epoxy-nor-ketoguaia-11-ene
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
(+)-1,5-epoxy-nor-ketoguaia-11-ene
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(+)-1,5-epoxy-nor-ketoguaia-11-ene
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
(+)-1,5-epoxy-nor-ketoguaia-11-ene
Role
alias
Source
TCMBank
Preferred
No
Name
1,5-Epoxy-14-nor-11-guaien-10-one
Role
alias
Source
TCMBank
Preferred
No
Name
8-methyl-5-prop-1-en-2-yl-11-oxatricyclo[5.3.1.01,7]undecan-2-one
Role
alias
Source
HERB_v2
Preferred
No
Name
8-methyl-5-prop-1-en-2-yl-11-oxatricyclo[5.3.1.01,7]undecan-2-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:228926
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:228926
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
1,5-Epoxy-14-nor-11-guaien-10-one8-methyl-5-prop-1-en-2-yl-11-oxatricyclo[5.3.1.01,7]undecan-2-oneCHEBI:228926
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN001681
Npass
NPC113184
Tcmid
7178
Tcmsp
MOL002450
Sym Map
SMIT00984
Pub Chem
5317152
Tcmbank
TCMBANKIN018592
Etcm Ingredient
(+)-1,5-Epoxy-nor-ketoguaia-11-ene
Itcmdb Generated
ITX-INGREDIENT-9D881075449D
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C14H20O2/c1-9(2)11-4-5-12(15)13-7-6-10(3)14(13,8-11)16-13/h10-11H,1,4-8H2,2-3H3
Mol Wt
220.3119999999999
Smiles
CC1CCC23C1(O2)CC(CCC3=O)C(=C)C
Mol Log P
2.869400000000002
Version
v1,v2
In Ch Ikey
PVZOTDQMEIOVQO-UHFFFAOYSA-N
Ob Score
62.84489462.8448942862.845
Suppress
0
Num Hdonors
0
Drug Likeness
0.502
Num Hacceptors
2
Isomeric Smiles
CC1CCC23C1(O2)CC(CCC3=O)C(=C)C
Molecule Weight
220.34
Canonical Smiles
CC1CCC23C1(O2)CC(CCC3=O)C(=C)C
Herb Alias Names
CHEBI:2289268-methyl-5-prop-1-en-2-yl-11-oxatricyclo[5.3.1.01,7]undecan-2-one
Molecular Weight
220.150
Molecular Weight
220.31 g/mol
Molecule Formula
C14H20O2
Molecular Formula
C14H20O2
Molecular Formula
C14H20O2
Molecular Formula
C14H20O2
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.873
Quantitative Estimate Of Drug Likeness（Qed）
0.502