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
- 39485
- Core Entity Id
- 74036
- Source Entity Count
- 1
- Preferred Name
- 1h-cyclopropa[a]naphthalene
- Name En
- Pubchem Id
- 12343165
- Smiles Canonical
- C1C2=C1C3=CC=CC=C3C=C2
- Molecular Formula
- C11H8
- Molecular Weight
- 140.1850
- Inchikey
- ZITVKGIRQCDOSX-UHFFFAOYSA-N
- Inchi
- InChI=1S/C11H8/c1-2-4-10-8(3-1)5-6-9-7-11(9)10/h1-6H,7H2
- Isomeric Smiles
- C1C2=C1C3=CC=CC=C3C=C2
- Cas Id
- Ob Score
- Mol Logp
- 2.7440
- Num H Donors
- 0
- Num H Acceptors
- 0
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.4500
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
1H-Cyclopropa[a]naphthalene
Role
preferred
Source
TCMBank
Preferred
Yes
Name
1h-cyclopropa[a]naphthalene
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
1h-cyclopropa[a]naphthalene
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
methanonaphthalene
Role
alias
Source
HERB_v2
Preferred
No
Name
methanonaphthalene
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
methanonaphthalene
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN002558
Npass
NPC284680
Tcmid
38212
Pub Chem
12343165
Tcmbank
TCMBANKIN013992
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C11H8/c1-2-4-10-8(3-1)5-6-9-7-11(9)10/h1-6H,7H2
Mol Wt
140.185
Smiles
C1C2=C1C3=CC=CC=C3C=C2
Mol Log P
2.744000000000001
In Ch Ikey
ZITVKGIRQCDOSX-UHFFFAOYSA-N
Num Hdonors
0
Drug Likeness
0.45
Num Hacceptors
0
Isomeric Smiles
C1C2=C1C3=CC=CC=C3C=C2
Canonical Smiles
C1C2=C1C3=CC=CC=C3C=C2
Herb Alias Names
methanonaphthalene
Molecular Weight
140.18 g/mol
Molecular Formula
C11H8
Molecular Formula
C11H8
Num Rotatable Bonds
0