Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 4Ingredient: 1Target: 2Links: 6
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 40047
- Core Entity Id
- 79476
- Source Entity Count
- 1
- Preferred Name
- (1s,5s)-7,7-dimethyl-2-methylenebicyclo[3.1.1]hept-3-ene
- Name En
- Pubchem Id
- 21631119
- Smiles Canonical
- CC1(C2CC1C(=C)C=C2)C
- Molecular Formula
- C10H14
- Molecular Weight
- 134.2220
- Inchikey
- YOQFOABVDRBYCG-RKDXNWHRSA-N
- Inchi
- InChI=1S/C10H14/c1-7-4-5-8-6-9(7)10(8,2)3/h4-5,8-9H,1,6H2,2-3H3/t8-,9-/m1/s1
- Isomeric Smiles
- CC1([C@H]2C[C@@H]1C(=C)C=C2)C
- Cas Id
- 4080-46-0
- Ob Score
- 37.7077
- Mol Logp
- 2.7747
- Num H Donors
- 0
- Num H Acceptors
- 0
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.4780
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(1S,5S)-7,7-Dimethyl-2-Methylenebicyclo[3.1.1]Hept-3-Ene
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
(1S,5S)-7,7-Dimethyl-2-Methylenebicyclo[3.1.1]Hept-3-Ene
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
(1S,5S)-7,7-dimethyl-2-methylenebicyclo[3.1.1]hept-3-ene
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(1S,5S)-7,7-dimethyl-2-methylenebicyclo[3.1.1]hept-3-ene
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
(1s,5s)-7,7-dimethyl-2-methylenebicyclo[3.1.1]hept-3-ene
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(1s,5s)-7,7-dimethyl-2-methylenebicyclo[3.1.1]hept-3-ene
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
(-)-Verbenene
Role
alias
Source
HERB_v2
Preferred
No
Name
(-)-Verbenene
Role
alias
Source
itcmdb_public
Preferred
No
Name
(1S,5S)-7,7-dimethyl-2-methylene-bicyclo[3.1.1]hept-3-ene
Role
alias
Source
TCMBank
Preferred
No
Name
(1S,5S)-7,7-dimethyl-2-methylidenebicyclo[3.1.1]hept-3-ene
Role
alias
Source
TCMBank
Preferred
No
Name
190715-28-7
Role
alias
Source
HERB_v2
Preferred
No
Name
190715-28-7
Role
alias
Source
itcmdb_public
Preferred
No
Name
Verbenene
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
verbenene
Role
preferred
Source
TCMBank
Preferred
Yes
Name
4-methylene-6,6-dimethylbicyclo[3.1.1]hept-2-ene
Role
alias
Source
HERB_v2
Preferred
No
Name
4080-46-0
Role
alias
Source
HERB_v2
Preferred
No
Name
6,6-dimethyl-4-methylidenebicyclo[3.1.1]hept-2-ene
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXCID70374644
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID50423806
Role
alias
Source
itcmdb_public
Preferred
No
Name
Q67880188
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(-)-Verbenene(1S,5S)-7,7-dimethyl-2-methylene-bicyclo[3.1.1]hept-3-ene(1S,5S)-7,7-dimethyl-2-methylidenebicyclo[3.1.1]hept-3-ene190715-28-7Verbenene4-methylene-6,6-dimethylbicyclo[3.1.1]hept-2-ene4080-46-06,6-dimethyl-4-methylidenebicyclo[3.1.1]hept-2-eneDTXCID70374644DTXSID50423806Q67880188
Cross References
Trusted external identifiers retained for this final record.
Cas
4080-46-0
Herb
HBIN003307HBIN047826
Npass
NPC60869NPC134114
Tcmid
33421
Tcmsp
MOL002108
Sym Map
SMIT04412SMIT27400
Pub Chem
216311196427476
Tcmbank
TCMBANKIN008591TCMBANKIN028350
Etcm Ingredient
(1S,5S)-7,7-dimethyl-2-methylenebicyclo[3.1.1]hept-3-ene
Itcmdb Generated
ITX-INGREDIENT-8E101B651B63ITX-INGREDIENT-F0B9BAFCF685
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C10H14/c1-7-4-5-8-6-9(7)10(8,2)3/h4-5,8-9H,1,6H2,2-3H3/t8-,9-/m1/s1
Mol Wt
134.222
Cas Id
4080-46-0
Smiles
CC1(C2CC1C(=C)C=C2)C
Mol Log P
2.774700000000001
Version
v1,v2
In Ch Ikey
YOQFOABVDRBYCG-RKDXNWHRSA-N
Ob Score
37.70769637.7076962537.708
Suppress
0
Num Hdonors
0
Drug Likeness
0.478
Num Hacceptors
0
Isomeric Smiles
CC1([C@H]2C[C@@H]1C(=C)C=C2)C
Molecule Weight
134.24
Canonical Smiles
CC1(C2CC1C(=C)C=C2)C
Herb Alias Names
(-)-Verbenene190715-28-7
Molecular Weight
134.110
Molecular Weight
134.22
Molecular Formula
C10H14
Molecular Formula
C10H14
Molecular Formula
C10H14
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.934
Quantitative Estimate Of Drug Likeness（Qed）
0.478