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
- 8573
- Core Entity Id
- 12698
- Source Entity Count
- 1
- Preferred Name
- 7-oxohernagine
- Name En
- Pubchem Id
- 500430
- Smiles Canonical
- COC1=C(C2=C3C(=C1)C=CN=C3C(=O)C4=C2C(=C(C=C4)O)OC)OC
- Molecular Formula
- C19H15NO5
- Molecular Weight
- 337.3310
- Inchikey
- LCDNFJJWLKOWBV-UHFFFAOYSA-N
- Inchi
- InChI=1S/C19H15NO5/c1-23-12-8-9-6-7-20-16-13(9)15(19(12)25-3)14-10(17(16)22)4-5-11(21)18(14)24-2/h4-8,21H,1-3H3
- Isomeric Smiles
- COC1=C(C2=C3C(=C1)C=CN=C3C(=O)C4=C2C(=C(C=C4)O)OC)OC
- Cas Id
- Ob Score
- Mol Logp
- 3.1776
- Num H Donors
- 1
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.6190
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
7-Oxohernagine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
7-Oxohernagine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
7-oxohernagine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
7-oxohernagine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
鼎湖钓樟
Role
TCM_name
Source
TCMBank
Preferred
No
Name
DING HU DIAO ZHANG
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Chun’s Spicebush
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
7H-Dibenzo[de,g]quinolin-7-one, 10-hydroxy-1,2,11-trimethoxy-
Role
alias
Source
HERB_v2
Preferred
No
Name
7H-Dibenzo[de,g]quinolin-7-one, 10-hydroxy-1,2,11-trimethoxy-
Role
alias
Source
itcmdb_public
Preferred
No
Name
hydroxy(trimethoxy)[?]one
Role
alias
Source
HERB_v2
Preferred
No
Name
hydroxy(trimethoxy)[?]one
Role
alias
Source
itcmdb_public
Preferred
No
Name
oxohernagine
Role
preferred
Source
TCMBank
Preferred
Yes
Aliases
Additional names normalized into the restored final schema.
鼎湖钓樟DING HU DIAO ZHANGChun’s Spicebush7H-Dibenzo[de,g]quinolin-7-one, 10-hydroxy-1,2,11-trimethoxy-hydroxy(trimethoxy)[?]oneoxohernagine
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN013434HBIN038453
Npass
NPC46579
Tcmid
16331
Tcm Id
20508
Pub Chem
500430
Tcmbank
TCMBANKIN003868TCMBANKIN061678
Etcm Ingredient
7-Oxohernagine
Itcmdb Generated
ITX-INGREDIENT-BBC84C249C56ITX-INGREDIENT-E57C72D57660
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C19H15NO5/c1-23-12-8-9-6-7-20-16-13(9)15(19(12)25-3)14-10(17(16)22)4-5-11(21)18(14)24-2/h4-8,21H,1-3H3
Mol Wt
337.3310000000001
Smiles
COC1=C(C2=C3C(=C1)C=CN=C3C(=O)C4=C2C(=C(C=C4)O)OC)OC
Mol Log P
3.177600000000001
In Ch Ikey
LCDNFJJWLKOWBV-UHFFFAOYSA-N
Tcm Name
鼎湖钓樟
Tcm Name2
DING HU DIAO ZHANG
Mol2 Path
/TCM_database/2007_3d_all/16342.mol2
Reference
4224
Num Hdonors
1
Tcm Name En
Chun’s Spicebush
Drug Likeness
0.619
Num Hacceptors
6
Isomeric Smiles
COC1=C(C2=C3C(=C1)C=CN=C3C(=O)C4=C2C(=C(C=C4)O)OC)OC
Canonical Smiles
COC1=C(C2=C3C(=C1)C=CN=C3C(=O)C4=C2C(=C(C=C4)O)OC)OC
Herb Alias Names
hydroxy(trimethoxy)[?]one7H-Dibenzo[de,g]quinolin-7-one, 10-hydroxy-1,2,11-trimethoxy-
Molecular Weight
337.100
Molecular Weight
337.3 g/mol
Molecular Formula
C19H15NO5
Molecular Formula
C19H15NO5
Molecular Formula
C19H15NO5
Num Rotatable Bonds
3
Fda Maximum Daily Dose (Fdamdd)
0.799
Quantitative Estimate Of Drug Likeness（Qed）
0.789