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
- 27129
- Core Entity Id
- 33340
- Source Entity Count
- 1
- Preferred Name
- Naphthoquinone v
- Name En
- Pubchem Id
- 60166270
- Smiles Canonical
- CC1(CCC2=C(O1)C(=O)C3=C(C2=O)C(=CC=C3)OC)C
- Molecular Formula
- C16H16O4
- Molecular Weight
- 272.3000
- Inchikey
- UFGOPKFUGYRWSG-UHFFFAOYSA-N
- Inchi
- InChI=1S/C16H16O4/c1-16(2)8-7-10-13(17)12-9(14(18)15(10)20-16)5-4-6-11(12)19-3/h4-6H,7-8H2,1-3H3
- Isomeric Smiles
- CC1(CCC2=C(O1)C(=O)C3=C(C2=O)C(=CC=C3)OC)C
- Cas Id
- Ob Score
- Mol Logp
- 2.9173
- Num H Donors
- 0
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.7880
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Naphthoquinone V
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Naphthoquinone v
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Naphthoquinone v
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
naphthoquinone v
Role
preferred
Source
TCMBank
Preferred
Yes
Name
6-methoxy-alpha-lapachone
Role
alias
Source
itcmdb_public
Preferred
No
Name
6-methoxy-alpha-lapachone
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL2036875
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL2036875
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
6-methoxy-alpha-lapachoneCHEMBL2036875
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN036334
Tcmid
15252
Pub Chem
60166270
Tcmbank
TCMBANKIN033789
Etcm Ingredient
Naphthoquinone V
Itcmdb Generated
ITX-INGREDIENT-BB3D84816FC7
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C16H16O4/c1-16(2)8-7-10-13(17)12-9(14(18)15(10)20-16)5-4-6-11(12)19-3/h4-6H,7-8H2,1-3H3
Mol Wt
272.3
Smiles
CC1(CCC2=C(O1)C(=O)C3=C(C2=O)C(=CC=C3)OC)C
Mol Log P
2.917300000000001
In Ch Ikey
UFGOPKFUGYRWSG-UHFFFAOYSA-N
Num Hdonors
0
Drug Likeness
0.788
Num Hacceptors
4
Isomeric Smiles
CC1(CCC2=C(O1)C(=O)C3=C(C2=O)C(=CC=C3)OC)C
Canonical Smiles
CC1(CCC2=C(O1)C(=O)C3=C(C2=O)C(=CC=C3)OC)C
Herb Alias Names
6-methoxy-alpha-lapachoneCHEMBL2036875
Molecular Weight
272.100
Molecular Formula
C16H16O4
Molecular Formula
C16H16O4
Molecular Formula
C16H16O4
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.157
Quantitative Estimate Of Drug Likeness（Qed）
0.781