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
- 2234
- Core Entity Id
- 5671
- Source Entity Count
- 1
- Preferred Name
- 2-methylnaphthazarin
- Name En
- Pubchem Id
- 271296
- Smiles Canonical
- CC1=CC(=O)C2=C(C=CC(=C2C1=O)O)O
- Molecular Formula
- C11H8O4
- Molecular Weight
- 204.1810
- Inchikey
- YKPXIWHBRBFRQM-UHFFFAOYSA-N
- Inchi
- InChI=1S/C11H8O4/c1-5-4-8(14)9-6(12)2-3-7(13)10(9)11(5)15/h2-4,12-13H,1H3
- Isomeric Smiles
- CC1=CC(=O)C2=C(C=CC(=C2C1=O)O)O
- Cas Id
- Ob Score
- Mol Logp
- 1.4231
- Num H Donors
- 2
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.6270
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2-methylnaphthazarin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
2-methylnaphthazarin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
2-methylnaphthazarin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
1,4-Naphthoquinone, 5,8-dihydroxy-2-methyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
1,4-Naphthoquinone, 5,8-dihydroxy-2-methyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
14554-09-7
Role
alias
Source
itcmdb_public
Preferred
No
Name
14554-09-7
Role
alias
Source
HERB_v2
Preferred
No
Name
2-methylna-phthazarin
Role
alias
Source
TCMBank
Preferred
No
Name
5,8-Dihydroxy-2-methyl-1,4-naphthoquinone
Role
alias
Source
HERB_v2
Preferred
No
Name
5,8-Dihydroxy-2-methyl-1,4-naphthoquinone
Role
alias
Source
itcmdb_public
Preferred
No
Name
5,8-dihydroxy-2-methylnaphthalene-1,4-dione
Role
alias
Source
HERB_v2
Preferred
No
Name
5,8-dihydroxy-2-methylnaphthalene-1,4-dione
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID70297223
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID70297223
Role
alias
Source
itcmdb_public
Preferred
No
Name
MLS001048870
Role
alias
Source
HERB_v2
Preferred
No
Name
MLS001048870
Role
alias
Source
itcmdb_public
Preferred
No
Name
Methylnaphthazarin
Role
alias
Source
HERB_v2
Preferred
No
Name
Methylnaphthazarin
Role
alias
Source
itcmdb_public
Preferred
No
Name
Ramentone
Role
alias
Source
HERB_v2
Preferred
No
Name
Ramentone
Role
alias
Source
itcmdb_public
Preferred
No
Name
SMR000387073
Role
alias
Source
HERB_v2
Preferred
No
Name
SMR000387073
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
1,4-Naphthoquinone, 5,8-dihydroxy-2-methyl-14554-09-72-methylna-phthazarin5,8-Dihydroxy-2-methyl-1,4-naphthoquinone5,8-dihydroxy-2-methylnaphthalene-1,4-dioneDTXSID70297223MLS001048870MethylnaphthazarinRamentoneSMR000387073
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN006074
Tcmid
33920
Tcm Id
15806
Pub Chem
271296
Tcmbank
TCMBANKIN020432
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C11H8O4/c1-5-4-8(14)9-6(12)2-3-7(13)10(9)11(5)15/h2-4,12-13H,1H3
Mol Wt
204.181
Smiles
CC1=CC(=O)C2=C(C=CC(=C2C1=O)O)O
Mol Log P
1.4231
In Ch Ikey
YKPXIWHBRBFRQM-UHFFFAOYSA-N
Num Hdonors
2
Drug Likeness
0.627
Num Hacceptors
4
Isomeric Smiles
CC1=CC(=O)C2=C(C=CC(=C2C1=O)O)O
Canonical Smiles
CC1=CC(=O)C2=C(C=CC(=C2C1=O)O)O
Herb Alias Names
Methylnaphthazarin14554-09-75,8-dihydroxy-2-methylnaphthalene-1,4-dioneRamentone1,4-Naphthoquinone, 5,8-dihydroxy-2-methyl-5,8-Dihydroxy-2-methyl-1,4-naphthoquinoneMLS001048870SMR000387073DTXSID70297223
Molecular Weight
204.18 g/mol
Molecular Formula
C11H8O4
Molecular Formula
C11H8O4
Num Rotatable Bonds
0