Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 12Links: 13
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 30685
- Core Entity Id
- 37288
- Source Entity Count
- 1
- Preferred Name
- Pronaphthalide a
- Name En
- Pubchem Id
- 223824
- Smiles Canonical
- C1C2=CC=CC3=C2C(=CC=C3)C(=O)O1
- Molecular Formula
- C12H8O2
- Molecular Weight
- 184.1940
- Inchikey
- UKOVZLWSUZKTRL-UHFFFAOYSA-N
- Inchi
- InChI=1S/C12H8O2/c13-12-10-6-2-4-8-3-1-5-9(7-14-12)11(8)10/h1-6H,7H2
- Isomeric Smiles
- C1C2=CC=CC3=C2C(=CC=C3)C(=O)O1
- Cas Id
- Ob Score
- Mol Logp
- 2.5102
- Num H Donors
- 0
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.5880
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Pronaphthalide A
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Pronaphthalide a
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Pronaphthalide a
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
1,8-Naphthalide
Role
alias
Source
HERB_v2
Preferred
No
Name
1,8-Naphthalide
Role
alias
Source
itcmdb_public
Preferred
No
Name
1H,3H-Benzo[de]isochromen-1-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
1H,3H-Benzo[de]isochromen-1-one
Role
alias
Source
HERB_v2
Preferred
No
Name
1H,3H-Naphtho[1,8-cd]pyran-1-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
1H,3H-Naphtho[1,8-cd]pyran-1-one
Role
alias
Source
HERB_v2
Preferred
No
Name
3H-2-Oxa-1H-phenalene-1-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
3H-2-Oxa-1H-phenalene-1-one
Role
alias
Source
HERB_v2
Preferred
No
Name
518-86-5
Role
alias
Source
itcmdb_public
Preferred
No
Name
518-86-5
Role
alias
Source
HERB_v2
Preferred
No
Name
Benzo[de]isochromen-1(3H)-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
Benzo[de]isochromen-1(3H)-one
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL1479195
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL1479195
Role
alias
Source
itcmdb_public
Preferred
No
Name
Naphthalid
Role
alias
Source
HERB_v2
Preferred
No
Name
Naphthalid
Role
alias
Source
itcmdb_public
Preferred
No
Name
Naphthalide
Role
alias
Source
itcmdb_public
Preferred
No
Name
Naphthalide
Role
alias
Source
HERB_v2
Preferred
No
Name
peri-Naphthalide
Role
alias
Source
HERB_v2
Preferred
No
Name
peri-Naphthalide
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
1,8-Naphthalide1H,3H-Benzo[de]isochromen-1-one1H,3H-Naphtho[1,8-cd]pyran-1-one3H-2-Oxa-1H-phenalene-1-one518-86-5Benzo[de]isochromen-1(3H)-oneCHEMBL1479195NaphthalidNaphthalideperi-Naphthalide
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN040815
Npass
NPC79496
Tcmid
36936
Pub Chem
223824
Tcmbank
TCMBANKIN035278
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C12H8O2/c13-12-10-6-2-4-8-3-1-5-9(7-14-12)11(8)10/h1-6H,7H2
Mol Wt
184.194
Smiles
C1C2=CC=CC3=C2C(=CC=C3)C(=O)O1
Mol Log P
2.5102
In Ch Ikey
UKOVZLWSUZKTRL-UHFFFAOYSA-N
Num Hdonors
0
Drug Likeness
0.588
Num Hacceptors
2
Isomeric Smiles
C1C2=CC=CC3=C2C(=CC=C3)C(=O)O1
Canonical Smiles
C1C2=CC=CC3=C2C(=CC=C3)C(=O)O1
Herb Alias Names
518-86-5Benzo[de]isochromen-1(3H)-oneNaphthalide1H,3H-Naphtho[1,8-cd]pyran-1-oneperi-Naphthalide1H,3H-Benzo[de]isochromen-1-oneNaphthalid3H-2-Oxa-1H-phenalene-1-one1,8-NaphthalideCHEMBL1479195
Molecular Formula
C12H8O2
Molecular Formula
C12H8O2
Num Rotatable Bonds
0