Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 3Ingredient: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 14620
- Core Entity Id
- 19415
- Source Entity Count
- 1
- Preferred Name
- Cis-4,11,11-trimethyl-8-methylenebicyclo[7.2.0]-undeca-4-ene
- Name En
- cis-4,11,11-Trimethyl-8-methylenebicyclo[7.2.0]undeca-4-ene
- Pubchem Id
- 18502770
- Smiles Canonical
- CC1=CCC(=C)C2CC(C2CC1)(C)C
- Molecular Formula
- C14H22
- Molecular Weight
- 190.3300
- Inchikey
- INOSMXBKABLUIL-DCKDXSSCSA-N
- Inchi
- InChI=1S/C14H22/c1-10-5-7-11(2)12-9-14(3,4)13(12)8-6-10/h5,12-13H,2,6-9H2,1,3-4H3/b10-5-/t12-,13-/m1/s1
- Isomeric Smiles
- C/C/1=C/CC(=C)[C@H]2CC([C@@H]2CC1)(C)C
- Cas Id
- Ob Score
- Mol Logp
- 4.3351
- Num H Donors
- 0
- Num H Acceptors
- 0
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.4990
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Cis-4,11,11-Trimethyl-8-Methylenebicyclo[7.2.0]-Undeca-4-Ene
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Cis-4,11,11-Trimethyl-8-Methylenebicyclo[7.2.0]-Undeca-4-Ene
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Cis-4,11,11-trimethyl-8-methylenebicyclo[7.2.0]-undeca-4-ene
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Cis-4,11,11-trimethyl-8-methylenebicyclo[7.2.0]-undeca-4-ene
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
cis-4,11,11-Trimethyl-8-methylenebicyclo[7.2.0]-undeca-4-ene
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
cis-4,11,11-trimethyl-8-methylenebicyclo[7.2.0]-undeca-4-ene
Role
preferred
Source
TCMBank
Preferred
Yes
Name
NCGC00178750-01
Role
alias
Source
HERB_v2
Preferred
No
Name
NCGC00178750-01
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
NCGC00178750-01
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN020777
Npass
NPC8180
Tcmid
21953
Sym Map
SMIT18044
Pub Chem
18502770
Tcmbank
TCMBANKIN047422
Etcm Ingredient
cis-4,11,11-Trimethyl-8-methylenebicyclo[7.2.0]-undeca-4-ene
Itcmdb Generated
ITX-INGREDIENT-6FA393BAEC3E
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C14H22/c1-10-5-7-11(2)12-9-14(3,4)13(12)8-6-10/h5,12-13H,2,6-9H2,1,3-4H3/b10-5-/t12-,13-/m1/s1
Mol Wt
190.33
Smiles
CC1=CCC(=C)C2CC(C2CC1)(C)C
Mol Log P
4.335100000000003
Version
v1,v2
In Ch Ikey
INOSMXBKABLUIL-DCKDXSSCSA-N
Suppress
0
Mol2 Path
/TCM_database/2007_3d_all/21969.mol2
Reference
2, 660
Num Hdonors
0
Drug Likeness
0.499
Num Hacceptors
0
Isomeric Smiles
C/C/1=C/CC(=C)[C@H]2CC([C@@H]2CC1)(C)C
Canonical Smiles
CC1=CCC(=C)C2CC(C2CC1)(C)C
Herb Alias Names
NCGC00178750-01
Molecular Weight
204.190
Molecular Formula
C15H24
Molecular Formula
C14H22
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.224
Quantitative Estimate Of Drug Likeness（Qed）
0.501