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
- 1012
- Core Entity Id
- 4320
- Source Entity Count
- 1
- Preferred Name
- 2,5-dihydroxy-3,8-dimethyl-1,4-naphthoquinone
- Name En
- Pubchem Id
- 442723
- Smiles Canonical
- CC1=C2C(=C(C=C1)O)C(=C(C(=O)C2=O)C)O
- Molecular Formula
- C12H10O4
- Molecular Weight
- 218.2080
- Inchikey
- SJBCQYINLQWMKL-UHFFFAOYSA-N
- Inchi
- InChI=1S/C12H10O4/c1-5-3-4-7(13)9-8(5)12(16)11(15)6(2)10(9)14/h3-4,13-14H,1-2H3
- Isomeric Smiles
- CC1=C2C(=C(C=C1)O)C(=C(C(=O)C2=O)C)O
- Cas Id
- 86533-36-0
- Ob Score
- Mol Logp
- 1.7550
- Num H Donors
- 2
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.6500
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2,5-dihydroxy-3,8-dimethyl-1,4-naphthoquinone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
2,5-dihydroxy-3,8-dimethyl-1,4-naphthoquinone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
2,5-Dihydroxy-3,8-dimethyl-1,4-naphthalenedione
Role
alias
Source
HERB_v2
Preferred
No
Name
2,5-Dihydroxy-3,8-dimethyl-1,4-naphthalenedione
Role
alias
Source
itcmdb_public
Preferred
No
Name
4,5-dihydroxy-3,8-dimethylnaphthalene-1,2-dione
Role
alias
Source
HERB_v2
Preferred
No
Name
4,5-dihydroxy-3,8-dimethylnaphthalene-1,2-dione
Role
alias
Source
itcmdb_public
Preferred
No
Name
86533-36-0
Role
alias
Source
HERB_v2
Preferred
No
Name
86533-36-0
Role
alias
Source
itcmdb_public
Preferred
No
Name
AC1L9DAN
Role
alias
Source
HERB_v2
Preferred
No
Name
AC1L9DAN
Role
alias
Source
itcmdb_public
Preferred
No
Name
Aristolindiquinone
Role
alias
Source
HERB_v2
Preferred
No
Name
Aristolindiquinone
Role
alias
Source
itcmdb_public
Preferred
No
Name
C10300
Role
alias
Source
HERB_v2
Preferred
No
Name
C10300
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:2823
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:2823
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXCID60283019
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXCID60283019
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID80331925
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID80331925
Role
alias
Source
itcmdb_public
Preferred
No
Name
HY-N2471
Role
alias
Source
HERB_v2
Preferred
No
Name
HY-N2471
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
2,5-Dihydroxy-3,8-dimethyl-1,4-naphthalenedione4,5-dihydroxy-3,8-dimethylnaphthalene-1,2-dione86533-36-0AC1L9DANAristolindiquinoneC10300CHEBI:2823DTXCID60283019DTXSID80331925HY-N2471
Cross References
Trusted external identifiers retained for this final record.
Cas
86533-36-0
Herb
HBIN004618HBIN016794
Npass
NPC4323
Tcmid
1710
Tcm Id
8859
Pub Chem
442723
Tcmbank
TCMBANKIN059765
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C12H10O4/c1-5-3-4-7(13)9-8(5)12(16)11(15)6(2)10(9)14/h3-4,13-14H,1-2H3
Mol Wt
218.2079999999999
Cas Id
86533-36-0
Smiles
CC1=C2C(=C(C=C1)O)C(=C(C(=O)C2=O)C)O
Mol Log P
1.755019999999999
In Ch Ikey
SJBCQYINLQWMKL-UHFFFAOYSA-N
Num Hdonors
2
Drug Likeness
0.65
Num Hacceptors
4
Isomeric Smiles
CC1=C2C(=C(C=C1)O)C(=C(C(=O)C2=O)C)O
Canonical Smiles
CC1=C2C(=C(C=C1)O)C(=C(C(=O)C2=O)C)O
Herb Alias Names
Aristolindiquinone86533-36-04,5-dihydroxy-3,8-dimethylnaphthalene-1,2-dioneDTXSID80331925C103002,5-Dihydroxy-3,8-dimethyl-1,4-naphthalenedioneAC1L9DANCHEBI:2823DTXCID60283019HY-N2471
Molecular Weight
218.2 g/mol
Molecular Formula
C12H10O4
Molecular Formula
C12H10O4
Num Rotatable Bonds
0