Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Target: 13Links: 15
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 30834
- Core Entity Id
- 37455
- Source Entity Count
- 1
- Preferred Name
- Przewaquinone f
- Name En
- Pubchem Id
- 126073
- Smiles Canonical
- CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCC(C4CO)O
- Molecular Formula
- C18H16O5
- Molecular Weight
- 312.3210
- Inchikey
- OUFIJYAHFBAFBX-UHFFFAOYSA-N
- Inchi
- InChI=1S/C18H16O5/c1-8-7-23-18-11-3-2-9-10(4-5-13(20)12(9)6-19)15(11)17(22)16(21)14(8)18/h2-3,7,12-13,19-20H,4-6H2,1H3
- Isomeric Smiles
- CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCC(C4CO)O
- Cas Id
- Ob Score
- 40.3079
- Mol Logp
- 2.0170
- Num H Donors
- 2
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.7870
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Przewaquinone F
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Przewaquinone F
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Przewaquinone F
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Przewaquinone F
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Przewaquinone f
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Przewaquinone f
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
紫丹参
Role
TCM_name
Source
TCMBank
Preferred
No
Name
ZI DAN SHEN
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Manchurian Sage*
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
7-hydroxy-6-(hydroxymethyl)-1-methyl-6,7,8,9-tetrahydronaphtho[1,2-g][1]benzofuran-10,11-dione
Role
alias
Source
HERB_v2
Preferred
No
Name
7-hydroxy-6-(hydroxymethyl)-1-methyl-6,7,8,9-tetrahydronaphtho[1,2-g][1]benzofuran-10,11-dione
Role
alias
Source
itcmdb_public
Preferred
No
Name
7-hydroxy-6-(hydroxymethyl)-1-methyl-6,7,8,9-tetrahydrophenanthro[1,2-b]furan-10,11-dione
Role
alias
Source
itcmdb_public
Preferred
No
Name
7-hydroxy-6-(hydroxymethyl)-1-methyl-6,7,8,9-tetrahydrophenanthro[1,2-b]furan-10,11-dione
Role
alias
Source
HERB_v2
Preferred
No
Name
96839-31-5
Role
alias
Source
itcmdb_public
Preferred
No
Name
96839-31-5
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID70914286
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID70914286
Role
alias
Source
HERB_v2
Preferred
No
Name
Phenanthro(1,2-b)furan-10,11-dione, 6,7,8,9-tetrahydro-7-hydroxy-6-(hydroxymethyl)-1-methyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Phenanthro(1,2-b)furan-10,11-dione, 6,7,8,9-tetrahydro-7-hydroxy-6-(hydroxymethyl)-1-methyl-
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
紫丹参ZI DAN SHENManchurian Sage*7-hydroxy-6-(hydroxymethyl)-1-methyl-6,7,8,9-tetrahydronaphtho[1,2-g][1]benzofuran-10,11-dione7-hydroxy-6-(hydroxymethyl)-1-methyl-6,7,8,9-tetrahydrophenanthro[1,2-b]furan-10,11-dione96839-31-5DTXSID70914286Phenanthro(1,2-b)furan-10,11-dione, 6,7,8,9-tetrahydro-7-hydroxy-6-(hydroxymethyl)-1-methyl-
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN040999
Npass
NPC182642
Tcmid
17999
Tcmsp
MOL007071
Sym Map
SMIT08581
Tcm Id
1510
Pub Chem
126073
Tcmbank
TCMBANKIN041394
Etcm Ingredient
Przewaquinone F
Itcmdb Generated
ITX-INGREDIENT-38D0AFA200C9
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C18H16O5/c1-8-7-23-18-11-3-2-9-10(4-5-13(20)12(9)6-19)15(11)17(22)16(21)14(8)18/h2-3,7,12-13,19-20H,4-6H2,1H3
Mol Wt
312.321
Mol Log P
2.01702
Version
v1,v2
In Ch Ikey
OUFIJYAHFBAFBX-UHFFFAOYSA-N
Ob Score
40.3078839940.30788440.308
Suppress
0
Tcm Name
紫丹参
Tcm Name2
ZI DAN SHEN
Mol2 Path
/TCM_database/2007_3d_all/18013.mol2
Reference
2106
Num Hdonors
2
Tcm Name En
Manchurian Sage*
Drug Likeness
0.787
Num Hacceptors
5
Isomeric Smiles
CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCC(C4CO)O
Molecule Weight
312.34
Canonical Smiles
CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCC(C4CO)O
Herb Alias Names
Phenanthro(1,2-b)furan-10,11-dione, 6,7,8,9-tetrahydro-7-hydroxy-6-(hydroxymethyl)-1-methyl-96839-31-57-hydroxy-6-(hydroxymethyl)-1-methyl-6,7,8,9-tetrahydronaphtho[1,2-g][1]benzofuran-10,11-dioneDTXSID709142867-hydroxy-6-(hydroxymethyl)-1-methyl-6,7,8,9-tetrahydrophenanthro[1,2-b]furan-10,11-dione
Molecular Weight
312.100
Molecular Weight
312.3 g/mol
Molecular Formula
C18H16O5
Molecular Formula
C18H16O5
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.846
Quantitative Estimate Of Drug Likeness（Qed）
0.787