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: 7Ingredient: 1Links: 7
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 37649
- Core Entity Id
- 57438
- Source Entity Count
- 1
- Preferred Name
- 1,1,6-trimethyl-2h-naphthalene
- Name En
- Pubchem Id
- 121677
- Smiles Canonical
- CC1=CC2=C(C=C1)C(CC=C2)(C)C
- Molecular Formula
- C13H16
- Molecular Weight
- 172.2710
- Inchikey
- RTUMCNDCAVLXEP-UHFFFAOYSA-N
- Inchi
- InChI=1S/C13H16/c1-10-6-7-12-11(9-10)5-4-8-13(12,2)3/h4-7,9H,8H2,1-3H3
- Isomeric Smiles
- CC1=CC2=C(C=C1)C(CC=C2)(C)C
- Cas Id
- 30364-38-6
- Ob Score
- 24.9370
- Mol Logp
- 3.6895
- Num H Donors
- 0
- Num H Acceptors
- 0
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.5600
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
1,1,6-Trimethyl-2H-Naphthalene
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
1,1,6-trimethyl-2h-naphthalene
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
1,1,6-trimethyl-2h-naphthalene
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
01HD1KNX99
Role
alias
Source
itcmdb_public
Preferred
No
Name
01HD1KNX99
Role
alias
Source
HERB_v2
Preferred
No
Name
1,1,6-Trimethyl-1,2-dihydro-naphthalene
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,1,6-Trimethyl-1,2-dihydronaphthalene
Role
alias
Source
HERB_v2
Preferred
No
Name
1,2-Dihydro-1,1,6-trimethylnaphthalene
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,2-Dihydro-1,1,6-trimethylnaphthalene
Role
alias
Source
HERB_v2
Preferred
No
Name
1,2-Dihydro-1,1,6-trimethylnaphthalene (>80%)
Role
alias
Source
HERB_v2
Preferred
No
Name
1,2-Dihydro-1,1,6-trimethylnaphthalene (>80%)
Role
alias
Source
itcmdb_public
Preferred
No
Name
30364-38-6
Role
alias
Source
HERB_v2
Preferred
No
Name
30364-38-6
Role
alias
Source
itcmdb_public
Preferred
No
Name
Dehydro-ar-ionene
Role
alias
Source
HERB_v2
Preferred
No
Name
Dehydro-ar-ionene
Role
alias
Source
itcmdb_public
Preferred
No
Name
EINECS 250-150-8
Role
alias
Source
HERB_v2
Preferred
No
Name
EINECS 250-150-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
Naphthalene, 1,2-dihydro-1,1,6-trimethyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
Naphthalene, 1,2-dihydro-1,1,6-trimethyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,1,6-trimethyl-2H-naphthalene; 1,1,6-trimethyl-1,2-dihydro-naphthalene; 1,2- dihydro- 1,1,6-trimethyl- naphthalene
Role
preferred
Source
TCMBank
Preferred
Yes
Aliases
Additional names normalized into the restored final schema.
01HD1KNX991,1,6-Trimethyl-1,2-dihydro-naphthalene1,1,6-Trimethyl-1,2-dihydronaphthalene1,2-Dihydro-1,1,6-trimethylnaphthalene1,2-Dihydro-1,1,6-trimethylnaphthalene (>80%)30364-38-6Dehydro-ar-ioneneEINECS 250-150-8Naphthalene, 1,2-dihydro-1,1,6-trimethyl-1,1,6-trimethyl-2H-naphthalene; 1,1,6-trimethyl-1,2-dihydro-naphthalene; 1,2- dihydro- 1,1,6-trimethyl- naphthalene
Cross References
Trusted external identifiers retained for this final record.
Cas
30364-38-6
Herb
HBIN000328HBIN000327HBIN000791
Npass
NPC47941
Tcmid
41557
Tcmsp
MOL003535
Sym Map
SMIT05593
Tcm Id
9648
Pub Chem
121677
Tcmbank
TCMBANKIN059943
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C13H16/c1-10-6-7-12-11(9-10)5-4-8-13(12,2)3/h4-7,9H,8H2,1-3H3
Mol Wt
172.271
Cas Id
30364-38-6
Smiles
CC1=CC2=C(C=C1)C(CC=C2)(C)C
Mol Log P
3.689520000000003
Version
v1,v2
In Ch Ikey
RTUMCNDCAVLXEP-UHFFFAOYSA-N
Ob Score
24.93724.93733273
Suppress
0
Num Hdonors
0
Drug Likeness
0.56
Num Hacceptors
0
Isomeric Smiles
CC1=CC2=C(C=C1)C(CC=C2)(C)C
Molecule Weight
172.29
Canonical Smiles
CC1=CC2=C(C=C1)C(CC=C2)(C)C
Herb Alias Names
1,1,6-Trimethyl-1,2-dihydronaphthalene30364-38-61,2-Dihydro-1,1,6-trimethylnaphthaleneDehydro-ar-ioneneNaphthalene, 1,2-dihydro-1,1,6-trimethyl-01HD1KNX991,1,6-Trimethyl-1,2-dihydro-naphthalene1,2-Dihydro-1,1,6-trimethylnaphthalene (>80%)EINECS 250-150-8
Molecular Weight
172.27 g/mol
Molecular Formula
C13H16
Molecular Formula
C13H16
Num Rotatable Bonds
0