Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
Click a node to open it in a new tab
Herb: 4Ingredient: 1Links: 4
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 5552
- Core Entity Id
- 9362
- Source Entity Count
- 1
- Preferred Name
- Isolongifolene epoxide
- Name En
- Pubchem Id
- 107035
- Smiles Canonical
- CC1(CCC2C3(C14CCC(C4)C3(C)C)O2)C
- Molecular Formula
- C15H24O
- Molecular Weight
- 220.3560
- Inchikey
- VQHLGZRKOZIABH-UHFFFAOYSA-N
- Inchi
- InChI=1S/C15H24O/c1-12(2)7-6-11-15(16-11)13(3,4)10-5-8-14(12,15)9-10/h10-11H,5-9H2,1-4H3
- Isomeric Smiles
- CC1(CCC2C3(C14CCC(C4)C3(C)C)O2)C
- Cas Id
- Ob Score
- 103.3166
- Mol Logp
- 3.7703
- Num H Donors
- 0
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.5660
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Isolongifolene Epoxide
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Octahydro-4,4,8,8-Tetramethyl-4A,7-Methano-4Ah-Naphth[1,8A-B]Oxirene
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
4,4,8,8-tetramethyloctahydro-4a,7-methanonaphtho[1,8a-b]oxirene
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
4,4,8,8-tetramethyloctahydro-4a,7-methanonaphtho[1,8a-b]oxirene
Role
preferred
Source
TCMBank
Preferred
Yes
Name
4,4,8,8-tetramethyloctahydro-4a,7-methanonaphtho[1,8a-b]oxirene
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Isolongifolene Epoxide
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Isolongifolene epoxide
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Isolongifolene epoxide
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Isolongifolene epoxide
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Isolongifolene epoxide
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Octahydro-4,4,8,8-Tetramethyl-4A,7-Methano-4Ah-Naphth[1,8A-B]Oxirene
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Octahydro-4,4,8,8-tetramethyl-4a,7-methano-4ah-naphth[1,8a-b]oxirene
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Octahydro-4,4,8,8-tetramethyl-4a,7-methano-4ah-naphth[1,8a-b]oxirene
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
octahydro-4,4,8,8-tetramethyl-4a,7-methano-4aH-naphth[1,8a-b]oxirene
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
26619-69-2
Role
alias
Source
HERB_v2
Preferred
No
Name
26619-69-2
Role
alias
Source
itcmdb_public
Preferred
No
Name
4a,7-Methano-4aH-naphth(1,8a-b)oxirene, octahydro-4,4,8,8-tetramethyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
4a,7-Methano-4aH-naphth[1,8a-b]oxirene, octahydro-4,4,8,8-tetramethyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
67999-56-8
Role
alias
Source
HERB_v2
Preferred
No
Name
67999-56-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
EINECS 247-851-6
Role
alias
Source
HERB_v2
Preferred
No
Name
EINECS 247-851-6
Role
alias
Source
itcmdb_public
Preferred
No
Name
EINECS 268-066-5
Role
alias
Source
itcmdb_public
Preferred
No
Name
EINECS 268-066-5
Role
alias
Source
HERB_v2
Preferred
No
Name
Isolongifolene epoxide
Role
alias
Source
itcmdb_public
Preferred
No
Name
Isolongifolene epoxide
Role
alias
Source
HERB_v2
Preferred
No
Name
Isolongifolene oxide
Role
alias
Source
itcmdb_public
Preferred
No
Name
Isolongifolene oxide
Role
alias
Source
HERB_v2
Preferred
No
Name
Octahydro-4,4,8,8-tetramethyl-4a,7-methano-4aH-naphth(1,8a-b)oxirene
Role
alias
Source
HERB_v2
Preferred
No
Name
Octahydro-4,4,8,8-tetramethyl-4a,7-methano-4aH-naphth(1,8a-b)oxirene
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
Octahydro-4,4,8,8-Tetramethyl-4A,7-Methano-4Ah-Naphth[1,8A-B]Oxirene4,4,8,8-tetramethyloctahydro-4a,7-methanonaphtho[1,8a-b]oxirene26619-69-24a,7-Methano-4aH-naphth(1,8a-b)oxirene, octahydro-4,4,8,8-tetramethyl-4a,7-Methano-4aH-naphth[1,8a-b]oxirene, octahydro-4,4,8,8-tetramethyl-67999-56-8EINECS 247-851-6EINECS 268-066-5Isolongifolene oxideOctahydro-4,4,8,8-tetramethyl-4a,7-methano-4aH-naphth(1,8a-b)oxirene
Cross References
Trusted external identifiers retained for this final record.
Cas
26619-69-267999-56-8
Herb
HBIN009918HBIN030905HBIN037781
Tcmid
42078
Tcmsp
MOL001582MOL009682
Sym Map
SMIT03974SMIT10773
Pub Chem
107035
Tcmbank
TCMBANKIN033797TCMBANKIN059649
Etcm Ingredient
Isolongifolene epoxideoctahydro-4,4,8,8-tetramethyl-4a,7-methano-4aH-naphth[1,8a-b]oxirene
Itcmdb Generated
ITX-INGREDIENT-42217E102378ITX-INGREDIENT-A9B5C590F96D
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C15H24O/c1-12(2)7-6-11-15(16-11)13(3,4)10-5-8-14(12,15)9-10/h10-11H,5-9H2,1-4H3
Mol Wt
220.356
Smiles
CC1(CCC2C3(C14CCC(C4)C3(C)C)O2)C
Mol Log P
3.770300000000003
Version
v1,v2
In Ch Ikey
VQHLGZRKOZIABH-UHFFFAOYSA-N
Ob Score
103.3165748103.316575103.31715.7579602315.758
Suppress
0
Num Hdonors
0
Drug Likeness
0.566
Num Hacceptors
1
Isomeric Smiles
CC1(CCC2C3(C14CCC(C4)C3(C)C)O2)C
Molecule Weight
220.39
Canonical Smiles
CC1(CCC2C3(C14CCC(C4)C3(C)C)O2)C
Herb Alias Names
Isolongifolene oxide67999-56-84a,7-Methano-4aH-naphth[1,8a-b]oxirene, octahydro-4,4,8,8-tetramethyl-Isolongifolene epoxideOctahydro-4,4,8,8-tetramethyl-4a,7-methano-4aH-naphth[1,8a-b]oxirene4a,7-Methano-4aH-naphth(1,8a-b)oxirene, octahydro-4,4,8,8-tetramethyl-Octahydro-4,4,8,8-tetramethyl-4a,7-methano-4aH-naphth(1,8a-b)oxirene26619-69-2EINECS 247-851-6EINECS 268-066-5
Molecular Weight
220.180
Molecular Weight
220.35 g/mol
Molecular Formula
C15H24O
Molecular Formula
C15H24O
Molecular Formula
C15H24O
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.8680.899
Quantitative Estimate Of Drug Likeness（Qed）
0.566