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
- 7363
- Core Entity Id
- 11366
- Source Entity Count
- 1
- Preferred Name
- 6,7-dimethyl-1,2,3,5,8,8a-hexahydronaphthalene
- Name En
- Pubchem Id
- 570683
- Smiles Canonical
- CC1=C(CC2=CCCCC2C1)C
- Molecular Formula
- C12H18
- Molecular Weight
- 162.2760
- Inchikey
- JYPYONFSJRKPQY-UHFFFAOYSA-N
- Inchi
- InChI=1S/C12H18/c1-9-7-11-5-3-4-6-12(11)8-10(9)2/h5,12H,3-4,6-8H2,1-2H3
- Isomeric Smiles
- CC1=C(CC2=CCCCC2C1)C
- Cas Id
- Ob Score
- Mol Logp
- 3.8431
- Num H Donors
- 0
- Num H Acceptors
- 0
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.4750
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
6,7-dimethyl-1,2,3,5,8,8a-hexahydronaphthalene
Role
preferred
Source
TCMBank
Preferred
Yes
Name
6,7-dimethyl-1,2,3,5,8,8a-hexahydronaphthalene
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
6,7-dimethyl-1,2,3,5,8,8a-hexahydronaphthalene
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
JYPYONFSJRKPQY-UHFFFAOYSA-N
Role
alias
Source
itcmdb_public
Preferred
No
Name
JYPYONFSJRKPQY-UHFFFAOYSA-N
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
JYPYONFSJRKPQY-UHFFFAOYSA-N
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN012083
Npass
NPC242765
Tcmid
40835
Pub Chem
570683
Tcmbank
TCMBANKIN002601
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C12H18/c1-9-7-11-5-3-4-6-12(11)8-10(9)2/h5,12H,3-4,6-8H2,1-2H3
Mol Wt
162.276
Smiles
CC1=C(CC2=CCCCC2C1)C
Mol Log P
3.843100000000002
In Ch Ikey
JYPYONFSJRKPQY-UHFFFAOYSA-N
Num Hdonors
0
Drug Likeness
0.475
Num Hacceptors
0
Isomeric Smiles
CC1=C(CC2=CCCCC2C1)C
Canonical Smiles
CC1=C(CC2=CCCCC2C1)C
Herb Alias Names
JYPYONFSJRKPQY-UHFFFAOYSA-N
Molecular Weight
162.27 g/mol
Molecular Formula
C12H18
Molecular Formula
C12H18
Num Rotatable Bonds
0