ITCMDBv1
IngredientID 5679

4,6-bis(4-methylpent-3-en-1-yl)-6-methyl-cyclohexa-1,3-diene-carbaldehyde

C20H30O

Back to Browse

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: 1Ingredient: 1Links: 1
Arranging relationship network...

Record Fields

Scalar fields from the final ingredient record.

Ingredient Id
5679
Core Entity Id
9502
Source Entity Count
1
Preferred Name
4,6-bis(4-methylpent-3-en-1-yl)-6-methyl-cyclohexa-1,3-diene-carbaldehyde
Name En
Pubchem Id
11346708
Smiles Canonical
CC(=CCCC1=CC=C(C(C1)(C)CCC=C(C)C)C=O)C
Molecular Formula
C20H30O
Molecular Weight
286.4590
Inchikey
FENFKJSEQOAPKE-UHFFFAOYSA-N
Inchi
InChI=1S/C20H30O/c1-16(2)8-6-10-18-11-12-19(15-21)20(5,14-18)13-7-9-17(3)4/h8-9,11-12,15H,6-7,10,13-14H2,1-5H3
Isomeric Smiles
CC(=CCCC1=CC=C(C(C1)(C)CCC=C(C)C)C=O)C
Cas Id
Ob Score
Mol Logp
5.9409
Num H Donors
0
Num H Acceptors
1
Num Rotatable Bonds
7
Drug Likeness
0.4180
Polar Surface Area
Molecular Volume
Alogp

Names

Preferred names, aliases, and source labels retained in the final schema.

Name
4,6-Bis(4-methylpent-3-en-1-yl)-6-methylcyclohexa-1,3-diene-carbaldehyde
Role
preferred
Source
TCMBank
Preferred
Yes
Name
4,6-bis(4-methylpent-3-en-1-yl)-6-methyl-cyclohexa-1,3-diene-carbaldehyde
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
4,6-bis(4-methylpent-3-en-1-yl)-6-methyl-cyclohexa-1,3-diene-carbaldehyde
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
北海藓苔虫
Role
TCM_name
Source
TCMBank
Preferred
No
Name
BEI HAI XIAN TAI CHONG
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
North Sea Bryozoan
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
1,3-Cyclohexadiene-1-carboxaldehyde, 6-methyl-4,6-bis(4-methyl-3-penten-1-yl)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,3-Cyclohexadiene-1-carboxaldehyde, 6-methyl-4,6-bis(4-methyl-3-penten-1-yl)-
Role
alias
Source
HERB_v2
Preferred
No
Name
1,3-Cyclohexadiene-1-carboxaldehyde, 6-methyl-4,6-bis(4-methyl-3-pentenyl)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,3-Cyclohexadiene-1-carboxaldehyde, 6-methyl-4,6-bis(4-methyl-3-pentenyl)-
Role
alias
Source
HERB_v2
Preferred
No
Name
4,6-bis(4-methylpent-3-en-1-yl)-6-methylcyclohexa-1,3-diene-carbaldehyde
Role
alias
Source
HERB_v2
Preferred
No
Name
4,6-bis(4-methylpent-3-en-1-yl)-6-methylcyclohexa-1,3-diene-carbaldehyde
Role
alias
Source
itcmdb_public
Preferred
No
Name
6-Methyl-4,6-bis(4-methylpent-3-en-1-yl)cyclohexa-1,3-dienecarbaldehyde
Role
alias
Source
itcmdb_public
Preferred
No
Name
6-Methyl-4,6-bis(4-methylpent-3-en-1-yl)cyclohexa-1,3-dienecarbaldehyde
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL526746
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL526746
Role
alias
Source
HERB_v2
Preferred
No
Name
FENFKJSEQOAPKE-UHFFFAOYSA-N
Role
alias
Source
HERB_v2
Preferred
No
Name
FENFKJSEQOAPKE-UHFFFAOYSA-N
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL5439516
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL5439516
Role
alias
Source
itcmdb_public
Preferred
No

Aliases

Additional names normalized into the restored final schema.

4,6-Bis(4-methylpent-3-en-1-yl)-6-methylcyclohexa-1,3-diene-carbaldehyde北海藓苔虫BEI HAI XIAN TAI CHONGNorth Sea Bryozoan1,3-Cyclohexadiene-1-carboxaldehyde, 6-methyl-4,6-bis(4-methyl-3-penten-1-yl)-1,3-Cyclohexadiene-1-carboxaldehyde, 6-methyl-4,6-bis(4-methyl-3-pentenyl)-6-Methyl-4,6-bis(4-methylpent-3-en-1-yl)cyclohexa-1,3-dienecarbaldehydeCHEMBL526746FENFKJSEQOAPKE-UHFFFAOYSA-NSCHEMBL5439516

Cross References

Trusted external identifiers retained for this final record.

Herb
HBIN010062
Tcmid
2484
Pub Chem
11346708
Tcmbank
TCMBANKIN002863TCMBANKIN016301
Itcmdb Generated
ITX-INGREDIENT-A6AC9BC042DF

Attributes

Merged source attributes and domain-specific metadata.

In Ch I
InChI=1S/C20H30O/c1-16(2)8-6-10-18-11-12-19(15-21)20(5,14-18)13-7-9-17(3)4/h8-9,11-12,15H,6-7,10,13-14H2,1-5H3
Mol Wt
286.459
Smiles
CC(=CCCC1=CC=C(C(C1)(C)CCC=C(C)C)C=O)C
Mol Log P
5.940900000000005
In Ch Ikey
FENFKJSEQOAPKE-UHFFFAOYSA-N
Tcm Name
北海藓苔虫
Tcm Name2
BEI HAI XIAN TAI CHONG
Mol2 Path
/TCM_database/2007_3d_all/02484.mol2
Reference
5029
Num Hdonors
0
Tcm Name En
North Sea Bryozoan
Drug Likeness
0.418
Num Hacceptors
1
Isomeric Smiles
CC(=CCCC1=CC=C(C(C1)(C)CCC=C(C)C)C=O)C
Canonical Smiles
CC(=CCCC1=CC=C(C(C1)(C)CCC=C(C)C)C=O)C
Herb Alias Names
CHEMBL526746SCHEMBL5439516FENFKJSEQOAPKE-UHFFFAOYSA-N4,6-bis(4-methylpent-3-en-1-yl)-6-methylcyclohexa-1,3-diene-carbaldehyde6-Methyl-4,6-bis(4-methylpent-3-en-1-yl)cyclohexa-1,3-dienecarbaldehyde1,3-Cyclohexadiene-1-carboxaldehyde, 6-methyl-4,6-bis(4-methyl-3-penten-1-yl)-1,3-Cyclohexadiene-1-carboxaldehyde, 6-methyl-4,6-bis(4-methyl-3-pentenyl)-
Molecular Weight
286.5 g/mol
Molecular Formula
C20H30O
Molecular Formula
C20H30O
Num Rotatable Bonds
7