Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Reference: 2Target: 12Links: 16
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 38618
- Core Entity Id
- 66378
- Source Entity Count
- 1
- Preferred Name
- 1,4-naphthoquinone
- Name En
- Pubchem Id
- 8530
- Smiles Canonical
- C1=CC=C2C(=O)C=CC(=O)C2=C1
- Molecular Formula
- C10H6O2
- Molecular Weight
- 158.1560
- Inchikey
- FRASJONUBLZVQX-UHFFFAOYSA-N
- Inchi
- InChI=1S/C10H6O2/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6H
- Isomeric Smiles
- C1=CC=C2C(=O)C=CC(=O)C2=C1
- Cas Id
- Ob Score
- Mol Logp
- 1.6218
- Num H Donors
- 0
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.5750
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
1,4-Naphthoquinone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
1,4-naphthoquinone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
1,4-naphthoquinone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
胡桃仁
Role
TCM_name
Source
TCMBank
Preferred
No
Name
HU TAO REN
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
English Walnut Seed
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
1,4-Naphthalenedione
Role
alias
Source
HERB_v2
Preferred
No
Name
1,4-Naphthalenedione
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,4-Naphthylquinone
Role
alias
Source
HERB_v2
Preferred
No
Name
1,4-Naphthylquinone
Role
alias
Source
itcmdb_public
Preferred
No
Name
130-15-4
Role
alias
Source
itcmdb_public
Preferred
No
Name
130-15-4
Role
alias
Source
HERB_v2
Preferred
No
Name
NAPHTHOQUINONE
Role
alias
Source
itcmdb_public
Preferred
No
Name
NAPHTHOQUINONE
Role
alias
Source
HERB_v2
Preferred
No
Name
USAF CY-10
Role
alias
Source
itcmdb_public
Preferred
No
Name
USAF CY-10
Role
alias
Source
HERB_v2
Preferred
No
Name
a-naphthoquinone
Role
alias
Source
itcmdb_public
Preferred
No
Name
a-naphthoquinone
Role
alias
Source
HERB_v2
Preferred
No
Name
alpha-Naphthoquinone
Role
alias
Source
itcmdb_public
Preferred
No
Name
alpha-Naphthoquinone
Role
alias
Source
HERB_v2
Preferred
No
Name
naphthalene-1,4-dione
Role
alias
Source
HERB_v2
Preferred
No
Name
naphthalene-1,4-dione
Role
alias
Source
itcmdb_public
Preferred
No
Name
p-Naphthoquinone
Role
alias
Source
HERB_v2
Preferred
No
Name
p-Naphthoquinone
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
胡桃仁HU TAO RENEnglish Walnut Seed1,4-Naphthalenedione1,4-Naphthylquinone130-15-4NAPHTHOQUINONEUSAF CY-10a-naphthoquinonealpha-Naphthoquinonenaphthalene-1,4-dionep-Naphthoquinone
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN001534
Npass
NPC215008
Tcmid
15247
Tcm Id
9958
Pub Chem
8530
Tcmbank
TCMBANKIN045003
Itcmdb Generated
ITX-INGREDIENT-F14287723AC4
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C10H6O2/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6H
Mol Wt
158.156
Mol Log P
1.6218
In Ch Ikey
FRASJONUBLZVQX-UHFFFAOYSA-N
Tcm Name
胡桃仁
Tcm Name2
HU TAO REN
Mol2 Path
/TCM_database/2007_3d_all/15255.mol2
Reference
2605, 2606
Num Hdonors
0
Tcm Name En
English Walnut Seed
Drug Likeness
0.575
Num Hacceptors
2
Isomeric Smiles
C1=CC=C2C(=O)C=CC(=O)C2=C1
Canonical Smiles
C1=CC=C2C(=O)C=CC(=O)C2=C1
Herb Alias Names
130-15-4naphthalene-1,4-dione1,4-NaphthalenedioneNAPHTHOQUINONEp-Naphthoquinonealpha-Naphthoquinone1,4-Naphthylquinonea-naphthoquinoneUSAF CY-10
Molecular Formula
C10H6O2
Num Rotatable Bonds
0