Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Target: 13Links: 15
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 5618
- Core Entity Id
- 9434
- Source Entity Count
- 1
- Preferred Name
- 4,5,9,10-dehydro-isolongifolene
- Name En
- Pubchem Id
- 588771
- Smiles Canonical
- CC1(C=CC=C2C13CC(C2(C)C)C=C3)C
- Molecular Formula
- C15H20
- Molecular Weight
- 200.3250
- Inchikey
- MOLSSUUBCUMURN-UHFFFAOYSA-N
- Inchi
- InChI=1S/C15H20/c1-13(2)8-5-6-12-14(3,4)11-7-9-15(12,13)10-11/h5-9,11H,10H2,1-4H3
- Isomeric Smiles
- CC1(C=CC=C2C13CC(C2(C)C)C=C3)C
- Cas Id
- Ob Score
- 41.9880
- Mol Logp
- 4.1111
- Num H Donors
- 0
- Num H Acceptors
- 0
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.5160
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
4,5,9,10-Dehydro-Isolongifolene
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
4,5,9,10-Dehydro-isolongifolene
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
4,5,9,10-Dehydro-isolongifolene
Role
preferred
Source
TCMBank
Preferred
Yes
Name
4,5,9,10-dehydro-isolongifolene
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
4,5,9,10-dehydro-isolongifolene
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
156747-45-4
Role
alias
Source
itcmdb_public
Preferred
No
Name
156747-45-4
Role
alias
Source
HERB_v2
Preferred
No
Name
2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undeca-3,5,9-triene
Role
alias
Source
itcmdb_public
Preferred
No
Name
2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undeca-3,5,9-triene
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:89675
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:89675
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID901020775
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID901020775
Role
alias
Source
itcmdb_public
Preferred
No
Name
Isolongifolene, 4,5,9,10-dehydro-
Role
alias
Source
HERB_v2
Preferred
No
Name
Isolongifolene, 4,5,9,10-dehydro-
Role
alias
Source
itcmdb_public
Preferred
No
Name
MOLSSUUBCUMURN-UHFFFAOYSA-N
Role
alias
Source
HERB_v2
Preferred
No
Name
MOLSSUUBCUMURN-UHFFFAOYSA-N
Role
alias
Source
itcmdb_public
Preferred
No
Name
Q27161868
Role
alias
Source
HERB_v2
Preferred
No
Name
Q27161868
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
156747-45-42,2,7,7-tetramethyltricyclo[6.2.1.01,6]undeca-3,5,9-trieneCHEBI:89675DTXSID901020775Isolongifolene, 4,5,9,10-dehydro-MOLSSUUBCUMURN-UHFFFAOYSA-NQ27161868
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN009995
Tcmsp
MOL010523
Sym Map
SMIT11559
Pub Chem
588771
Tcmbank
TCMBANKIN016115
Etcm Ingredient
4,5,9,10-Dehydro-isolongifolene
Itcmdb Generated
ITX-INGREDIENT-ABAD6D90EC71
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C15H20/c1-13(2)8-5-6-12-14(3,4)11-7-9-15(12,13)10-11/h5-9,11H,10H2,1-4H3
Mol Wt
200.325
Mol Log P
4.111100000000004
Version
v1,v2
In Ch Ikey
MOLSSUUBCUMURN-UHFFFAOYSA-N
Ob Score
41.98841.98846541.98846518
Suppress
0
Num Hdonors
0
Drug Likeness
0.516
Num Hacceptors
0
Isomeric Smiles
CC1(C=CC=C2C13CC(C2(C)C)C=C3)C
Molecule Weight
200.35
Canonical Smiles
CC1(C=CC=C2C13CC(C2(C)C)C=C3)C
Herb Alias Names
Isolongifolene, 4,5,9,10-dehydro-2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undeca-3,5,9-trieneCHEBI:89675MOLSSUUBCUMURN-UHFFFAOYSA-NDTXSID901020775156747-45-4Q271618682,2,7,7-Tetramethyltricyclo[6.2.1.0~1,6~]undeca-3,5,9-triene
Molecular Weight
200.160
Molecular Weight
200.35
Molecular Formula
C15H20
Molecular Formula
C15H20
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.928
Quantitative Estimate Of Drug Likeness（Qed）
0.516