Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 440
- Core Entity Id
- 3682
- Source Entity Count
- 1
- Preferred Name
- 2,3-dihydro-1,1,5,6-tetramethyl-1h-indene
- Name En
- Pubchem Id
- 523106
- Smiles Canonical
- CC1=CC2=C(C=C1C)C(CC2)(C)C
- Molecular Formula
- C13H18
- Molecular Weight
- 174.2870
- Inchikey
- SOVJMXNIZUPIFE-UHFFFAOYSA-N
- Inchi
- InChI=1S/C13H18/c1-9-7-11-5-6-13(3,4)12(11)8-10(9)2/h7-8H,5-6H2,1-4H3
- Isomeric Smiles
- CC1=CC2=C(C=C1C)C(CC2)(C)C
- Cas Id
- Ob Score
- Mol Logp
- 3.5272
- Num H Donors
- 0
- Num H Acceptors
- 0
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.5640
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2, 3-Dihydro-1, 1, 5, 6-tetramethyl-1H-indene
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2,3-dihydro-1,1,5,6-tetramethyl-1h-indene
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
2,3-dihydro-1,1,5,6-tetramethyl-1h-indene
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
1,1,5,6-TETRAMETHYLINDAN
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,1,5,6-TETRAMETHYLINDAN
Role
alias
Source
HERB_v2
Preferred
No
Name
1,1,5,6-Tetramethylindane
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,1,5,6-Tetramethylindane
Role
alias
Source
HERB_v2
Preferred
No
Name
1,1,5,6-tetramethyl-2,3-dihydro-1H-indene
Role
alias
Source
HERB_v2
Preferred
No
Name
1,1,5,6-tetramethyl-2,3-dihydro-1H-indene
Role
alias
Source
itcmdb_public
Preferred
No
Name
1H-Indene, 2,3-dihydro-1,1,5,6-tetramethyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
1H-Indene, 2,3-dihydro-1,1,5,6-tetramethyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
942-43-8
Role
alias
Source
HERB_v2
Preferred
No
Name
942-43-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
AKOS006295178
Role
alias
Source
HERB_v2
Preferred
No
Name
AKOS006295178
Role
alias
Source
itcmdb_public
Preferred
No
Name
EN300-8090079
Role
alias
Source
HERB_v2
Preferred
No
Name
EN300-8090079
Role
alias
Source
itcmdb_public
Preferred
No
Name
SOVJMXNIZUPIFE-UHFFFAOYSA-N
Role
alias
Source
HERB_v2
Preferred
No
Name
SOVJMXNIZUPIFE-UHFFFAOYSA-N
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
2, 3-Dihydro-1, 1, 5, 6-tetramethyl-1H-indene1,1,5,6-TETRAMETHYLINDAN1,1,5,6-Tetramethylindane1,1,5,6-tetramethyl-2,3-dihydro-1H-indene1H-Indene, 2,3-dihydro-1,1,5,6-tetramethyl-942-43-8AKOS006295178EN300-8090079SOVJMXNIZUPIFE-UHFFFAOYSA-N
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN003974
Npass
NPC306682
Tcmid
40792
Pub Chem
523106
Tcmbank
TCMBANKIN031883
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C13H18/c1-9-7-11-5-6-13(3,4)12(11)8-10(9)2/h7-8H,5-6H2,1-4H3
Mol Wt
174.2869999999999
Smiles
CC1=CC2=C(C=C1C)C(CC2)(C)C
Mol Log P
3.527240000000002
In Ch Ikey
SOVJMXNIZUPIFE-UHFFFAOYSA-N
Num Hdonors
0
Drug Likeness
0.564
Num Hacceptors
0
Isomeric Smiles
CC1=CC2=C(C=C1C)C(CC2)(C)C
Canonical Smiles
CC1=CC2=C(C=C1C)C(CC2)(C)C
Herb Alias Names
1,1,5,6-Tetramethylindane1,1,5,6-TETRAMETHYLINDAN1,1,5,6-tetramethyl-2,3-dihydro-1H-indene1H-Indene, 2,3-dihydro-1,1,5,6-tetramethyl-1,1,5,6-Tetramethylindane #SOVJMXNIZUPIFE-UHFFFAOYSA-NAKOS006295178942-43-8EN300-8090079
Molecular Weight
174.28 g/mol
Molecular Formula
C13H18
Molecular Formula
C13H18
Num Rotatable Bonds
0