Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 2Links: 5
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 12822
- Core Entity Id
- 17422
- Source Entity Count
- 1
- Preferred Name
- Bisnorargemonine
- Name En
- Pubchem Id
- 288120
- Smiles Canonical
- CN1C2CC3=CC(=C(C=C3C1CC4=CC(=C(C=C24)O)OC)OC)O
- Molecular Formula
- C19H21NO4
- Molecular Weight
- 327.3800
- Inchikey
- JLYWCHLTLCGOMW-UHFFFAOYSA-N
- Inchi
- InChI=1S/C19H21NO4/c1-20-14-4-10-6-16(21)19(24-3)9-13(10)15(20)5-11-7-18(23-2)17(22)8-12(11)14/h6-9,14-15,21-22H,4-5H2,1-3H3
- Isomeric Smiles
- CN1C2CC3=CC(=C(C=C3C1CC4=CC(=C(C=C24)O)OC)OC)O
- Cas Id
- Ob Score
- Mol Logp
- 2.9414
- Num H Donors
- 2
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.8880
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Bisnorargemonine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Bisnorargemonine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Bisnorargemonine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Bisnorargemonine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
厚壳桂
Role
TCM_name
Source
TCMBank
Preferred
No
Name
HOU KE GUI
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Chinese Cryptocarya
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
29944-24-9
Role
alias
Source
HERB_v2
Preferred
No
Name
29944-24-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
Argemonine,O9-didemethyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Argemonine,O9-didemethyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID70952380
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID70952380
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID90302106
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID90302106
Role
alias
Source
itcmdb_public
Preferred
No
Name
Dibenzo[a,e]cycloocten-5,11-imine-2,9-diol, 5,6,11,12-tetrahydro-3,8-dimethoxy-13-methyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Dibenzo[a,e]cycloocten-5,11-imine-2,9-diol, 5,6,11,12-tetrahydro-3,8-dimethoxy-13-methyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
HMS3356M11
Role
alias
Source
HERB_v2
Preferred
No
Name
HMS3356M11
Role
alias
Source
itcmdb_public
Preferred
No
Name
NSC-148825
Role
alias
Source
itcmdb_public
Preferred
No
Name
NSC148825
Role
alias
Source
HERB_v2
Preferred
No
Name
NSC645241
Role
alias
Source
HERB_v2
Preferred
No
Name
NSC645241
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
厚壳桂HOU KE GUIChinese Cryptocarya29944-24-9Argemonine,O9-didemethyl-DTXSID70952380DTXSID90302106Dibenzo[a,e]cycloocten-5,11-imine-2,9-diol, 5,6,11,12-tetrahydro-3,8-dimethoxy-13-methyl-HMS3356M11NSC-148825NSC148825NSC645241
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN018636
Npass
NPC83936
Tcmid
2486
Pub Chem
28812044558921
Tcmbank
TCMBANKIN043431
Etcm Ingredient
Bisnorargemonine
Itcmdb Generated
ITX-INGREDIENT-D7AB50F389FF
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C19H21NO4/c1-20-14-4-10-6-16(21)19(24-3)9-13(10)15(20)5-11-7-18(23-2)17(22)8-12(11)14/h6-9,14-15,21-22H,4-5H2,1-3H3
Mol Wt
327.3800000000001
Mol Log P
2.941400000000002
In Ch Ikey
JLYWCHLTLCGOMW-UHFFFAOYSA-N
Tcm Name
厚壳桂
Tcm Name2
HOU KE GUI
Mol2 Path
/TCM_database/2007_3d_all/02486.mol2
Reference
4129
Num Hdonors
2
Tcm Name En
Chinese Cryptocarya
Drug Likeness
0.888
Num Hacceptors
5
Isomeric Smiles
CN1C2CC3=CC(=C(C=C3C1CC4=CC(=C(C=C24)O)OC)OC)O
Canonical Smiles
CN1C2CC3=CC(=C(C=C3C1CC4=CC(=C(C=C24)O)OC)OC)O
Herb Alias Names
NSC64524129944-24-9NSC148825Dibenzo[a,e]cycloocten-5,11-imine-2,9-diol, 5,6,11,12-tetrahydro-3,8-dimethoxy-13-methyl-Argemonine,O9-didemethyl-DTXSID70952380DTXSID90302106HMS3356M11NSC-148825
Molecular Weight
327.150
Molecular Weight
327.4 g/mol
Molecular Formula
C19H21NO4
Molecular Formula
C19H21NO4
Num Rotatable Bonds
2
Fda Maximum Daily Dose (Fdamdd)
0.995
Quantitative Estimate Of Drug Likeness（Qed）
0.888