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
- 552
- Core Entity Id
- 3807
- Source Entity Count
- 1
- Preferred Name
- 2,3-epoxyplumbagin
- Name En
- Pubchem Id
- 71348507
- Smiles Canonical
- CC12C(O1)C(=O)C3=C(C2=O)C=CC=C3O
- Molecular Formula
- C11H8O4
- Molecular Weight
- 204.1810
- Inchikey
- XYOABSOIKCDDDO-UHFFFAOYSA-N
- Inchi
- InChI=1S/C11H8O4/c1-11-9(14)5-3-2-4-6(12)7(5)8(13)10(11)15-11/h2-4,10,12H,1H3
- Isomeric Smiles
- CC12C(O1)C(=O)C3=C(C2=O)C=CC=C3O
- Cas Id
- Ob Score
- Mol Logp
- 0.9287
- Num H Donors
- 1
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.6380
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2,3-Epoxyplumbagin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2,3-Epoxyplumbagin
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
2,3-epoxyplumbagin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
2,3-epoxyplumbagin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
海柿
Role
TCM_name
Source
TCMBank
Preferred
No
Name
HAI SHI
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Maritime Persimmon*
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
188675-38-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
188675-38-9
Role
alias
Source
HERB_v2
Preferred
No
Name
6-Hydroxy-1a-methyl-1a,7a-dihydronaphtho[2,3-b]oxirene-2,7-dione
Role
alias
Source
itcmdb_public
Preferred
No
Name
6-Hydroxy-1a-methyl-1a,7a-dihydronaphtho[2,3-b]oxirene-2,7-dione
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL3217787
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL3217787
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID70774403
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID70774403
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL3193276
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL3193276
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
海柿HAI SHIMaritime Persimmon*188675-38-96-Hydroxy-1a-methyl-1a,7a-dihydronaphtho[2,3-b]oxirene-2,7-dioneCHEMBL3217787DTXSID70774403SCHEMBL3193276
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN004095
Npass
NPC114620
Tcmid
7188
Pub Chem
71348507
Tcmbank
TCMBANKIN042019
Etcm Ingredient
2,3-Epoxyplumbagin
Itcmdb Generated
ITX-INGREDIENT-716231CF4548
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C11H8O4/c1-11-9(14)5-3-2-4-6(12)7(5)8(13)10(11)15-11/h2-4,10,12H,1H3
Mol Wt
204.181
Mol Log P
0.9286999999999999
In Ch Ikey
XYOABSOIKCDDDO-UHFFFAOYSA-N
Tcm Name
海柿
Tcm Name2
HAI SHI
Mol2 Path
/TCM_database/2007_3d_all/07189.mol2
Reference
4185
Num Hdonors
1
Tcm Name En
Maritime Persimmon*
Drug Likeness
0.638
Num Hacceptors
4
Isomeric Smiles
CC12C(O1)C(=O)C3=C(C2=O)C=CC=C3O
Canonical Smiles
CC12C(O1)C(=O)C3=C(C2=O)C=CC=C3O
Herb Alias Names
188675-38-96-Hydroxy-1a-methyl-1a,7a-dihydronaphtho[2,3-b]oxirene-2,7-dioneSCHEMBL3193276CHEMBL3217787DTXSID70774403
Molecular Weight
204.040
Molecular Weight
204.18 g/mol
Molecular Formula
C11H8O4
Molecular Formula
C11H8O4
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.010
Quantitative Estimate Of Drug Likeness（Qed）
0.638