Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Target: 12Links: 14
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 2113
- Core Entity Id
- 5538
- Source Entity Count
- 1
- Preferred Name
- 2-methoxynaphthoquinone
- Name En
- Pubchem Id
- 16871
- Smiles Canonical
- COC1=CC(=O)C2=CC=CC=C2C1=O
- Molecular Formula
- C11H8O3
- Molecular Weight
- 188.1820
- Inchikey
- OBGBGHKYJAOXRR-UHFFFAOYSA-N
- Inchi
- InChI=1S/C11H8O3/c1-14-10-6-9(12)7-4-2-3-5-8(7)11(10)13/h2-6H,1H3
- Isomeric Smiles
- COC1=CC(=O)C2=CC=CC=C2C1=O
- Cas Id
- 2348-82-5
- Ob Score
- 19.8976
- Mol Logp
- 1.5959
- Num H Donors
- 0
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.6720
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2-Methoxynaphthoquinone
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
2-Methoxynaphthoquinone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2-Methoxynaphthoquinone
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
2-methoxynaphthoquinone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
2-methoxynaphthoquinone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
1,4-NAPHTHOQUINONE, 2-METHOXY-
Role
alias
Source
HERB_v2
Preferred
No
Name
1,4-NAPHTHOQUINONE, 2-METHOXY-
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,4-Naphthalenedione, 2-methoxy-
Role
alias
Source
HERB_v2
Preferred
No
Name
1,4-Naphthalenedione, 2-methoxy-
Role
alias
Source
TCMBank
Preferred
No
Name
1,4-Naphthalenedione, 2-methoxy-
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,4-Naphthoquinone, 2-methoxy-
Role
alias
Source
TCMBank
Preferred
No
Name
189162_ALDRICH
Role
alias
Source
TCMBank
Preferred
No
Name
2-Methoxy-1,4-naphthalenedione
Role
alias
Source
TCMBank
Preferred
No
Name
2-Methoxy-1,4-naphthoquinone
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Methoxy-1,4-naphthoquinone
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Methoxy-[1,4]naphthoquinone
Role
alias
Source
TCMBank
Preferred
No
Name
2-Methoxy-p-naphthoquinone
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Methoxy-p-naphthoquinone
Role
alias
Source
TCMBank
Preferred
No
Name
2-Methoxy-p-naphthoquinone
Role
alias
Source
HERB_v2
Preferred
No
Name
2-methoxy-1,4-dihydronaphthalene-1,4-dione
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-methoxy-1,4-dihydronaphthalene-1,4-dione
Role
alias
Source
HERB_v2
Preferred
No
Name
2-methoxy-1,4-napthoquinone
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-methoxy-1,4-napthoquinone
Role
alias
Source
HERB_v2
Preferred
No
Name
2-methoxynaphthalene-1,4-dione
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-methoxynaphthalene-1,4-dione
Role
alias
Source
HERB_v2
Preferred
No
Name
2-methoxynaphthalene-1,4-dione
Role
alias
Source
TCMBank
Preferred
No
Name
2348-82-5
Role
alias
Source
HERB_v2
Preferred
No
Name
2348-82-5
Role
alias
Source
TCMBank
Preferred
No
Name
2348-82-5
Role
alias
Source
itcmdb_public
Preferred
No
Name
AI3-17893
Role
alias
Source
TCMBank
Preferred
No
Name
AIDS-121734
Role
alias
Source
TCMBank
Preferred
No
Name
InChI=1/C11H8O3/c1-14-10-6-9(12)7-4-2-3-5-8(7)11(10)13/h2-6H,1H
Role
alias
Source
TCMBank
Preferred
No
Name
NSC31530
Role
alias
Source
TCMBank
Preferred
No
Name
ST5411289
Role
alias
Source
TCMBank
Preferred
No
Name
ZINC02566243
Role
alias
Source
TCMBank
Preferred
No
Name
lawsone methyl ether
Role
alias
Source
HERB_v2
Preferred
No
Name
lawsone methyl ether
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
1,4-NAPHTHOQUINONE, 2-METHOXY-1,4-Naphthalenedione, 2-methoxy-189162_ALDRICH2-Methoxy-1,4-naphthalenedione2-Methoxy-1,4-naphthoquinone2-Methoxy-[1,4]naphthoquinone2-Methoxy-p-naphthoquinone2-methoxy-1,4-dihydronaphthalene-1,4-dione2-methoxy-1,4-napthoquinone2-methoxynaphthalene-1,4-dione2348-82-5AI3-17893AIDS-121734InChI=1/C11H8O3/c1-14-10-6-9(12)7-4-2-3-5-8(7)11(10)13/h2-6H,1HNSC31530ST5411289ZINC02566243lawsone methyl ether
Cross References
Trusted external identifiers retained for this final record.
Cas
2348-82-5
Herb
HBIN005920
Npass
NPC112552
Tcmsp
MOL004795
Sym Map
SMIT06649
Pub Chem
16871
Tcmbank
TCMBANKIN012757
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C11H8O3/c1-14-10-6-9(12)7-4-2-3-5-8(7)11(10)13/h2-6H,1H3
Mol Wt
188.182
Cas Id
2348-82-5
Smiles
COC1=CC(=O)C2=CC=CC=C2C1=O
Mol Log P
1.5959
Version
v1,v2
In Ch Ikey
OBGBGHKYJAOXRR-UHFFFAOYSA-N
Ob Score
19.89756819.8975681119.898
Suppress
0
Num Hdonors
0
Drug Likeness
0.672
Num Hacceptors
3
Isomeric Smiles
COC1=CC(=O)C2=CC=CC=C2C1=O
Molecule Weight
188.19
Canonical Smiles
COC1=CC(=O)C2=CC=CC=C2C1=O
Herb Alias Names
2-Methoxy-1,4-naphthoquinone2348-82-52-methoxynaphthalene-1,4-dione1,4-Naphthalenedione, 2-methoxy-lawsone methyl ether2-Methoxy-p-naphthoquinone1,4-NAPHTHOQUINONE, 2-METHOXY-2-methoxy-1,4-dihydronaphthalene-1,4-dione2-methoxy-1,4-napthoquinone
Molecular Weight
188.18
Molecular Formula
C11H8O3
Molecular Formula
C11H8O3
Num Rotatable Bonds
1