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
- 30561
- Core Entity Id
- 37155
- Source Entity Count
- 1
- Preferred Name
- Pratorimine
- Name En
- Pubchem Id
- 181937
- Smiles Canonical
- COC1=C(C=C2C(=C1)C3=CC=CC4=C3N(C2=O)C=C4)O
- Molecular Formula
- C16H11NO3
- Molecular Weight
- 265.2680
- Inchikey
- LAKWSSVAGFQTAY-UHFFFAOYSA-N
- Inchi
- InChI=1S/C16H11NO3/c1-20-14-8-11-10-4-2-3-9-5-6-17(15(9)10)16(19)12(11)7-13(14)18/h2-8,18H,1H3
- Isomeric Smiles
- COC1=C(C=C2C(=C1)C3=CC=CC4=C3N(C2=O)C=C4)O
- Cas Id
- Ob Score
- Mol Logp
- 2.7579
- Num H Donors
- 1
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.5380
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Pratorimine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Pratorimine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Pratorimine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
日本文殊兰
Role
TCM_name
Source
TCMBank
Preferred
No
Name
RI BEN WEN SHU LAN
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Japanese Crinum
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
5-hydroxy-4-methoxy-9-azatetracyclo(7.6.1.02,7.012,16)hexadeca-1(15),2,4,6,10,12(16),13-heptaen-8-one
Role
alias
Source
HERB_v2
Preferred
No
Name
5-hydroxy-4-methoxy-9-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2,4,6,10,12(16),13-heptaen-8-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
7H-Pyrrolo(3,2,1-de)phenanthridin-7-one, 9-hydroxy-10-methoxy-
Role
alias
Source
HERB_v2
Preferred
No
Name
7H-Pyrrolo(3,2,1-de)phenanthridin-7-one, 9-hydroxy-10-methoxy-
Role
alias
Source
itcmdb_public
Preferred
No
Name
88660-12-2
Role
alias
Source
itcmdb_public
Preferred
No
Name
88660-12-2
Role
alias
Source
HERB_v2
Preferred
No
Name
88860-12-2
Role
alias
Source
itcmdb_public
Preferred
No
Name
88860-12-2
Role
alias
Source
HERB_v2
Preferred
No
Name
AKOS040734146
Role
alias
Source
HERB_v2
Preferred
No
Name
AKOS040734146
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL4076568
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL4076568
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXCID60159725
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXCID60159725
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID60237234
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID60237234
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
日本文殊兰RI BEN WEN SHU LANJapanese Crinum5-hydroxy-4-methoxy-9-azatetracyclo(7.6.1.02,7.012,16)hexadeca-1(15),2,4,6,10,12(16),13-heptaen-8-one5-hydroxy-4-methoxy-9-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2,4,6,10,12(16),13-heptaen-8-one7H-Pyrrolo(3,2,1-de)phenanthridin-7-one, 9-hydroxy-10-methoxy-88660-12-288860-12-2AKOS040734146CHEMBL4076568DTXCID60159725DTXSID60237234
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN040663
Npass
NPC28624
Tcmid
17755
Pub Chem
181937
Tcmbank
TCMBANKIN046202
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C16H11NO3/c1-20-14-8-11-10-4-2-3-9-5-6-17(15(9)10)16(19)12(11)7-13(14)18/h2-8,18H,1H3
Mol Wt
265.268
Mol Log P
2.757900000000002
In Ch Ikey
LAKWSSVAGFQTAY-UHFFFAOYSA-N
Tcm Name
日本文殊兰
Tcm Name2
RI BEN WEN SHU LAN
Mol2 Path
/TCM_database/2007_3d_all/17769.mol2
Reference
4125
Num Hdonors
1
Tcm Name En
Japanese Crinum
Drug Likeness
0.538
Num Hacceptors
4
Isomeric Smiles
COC1=C(C=C2C(=C1)C3=CC=CC4=C3N(C2=O)C=C4)O
Canonical Smiles
COC1=C(C=C2C(=C1)C3=CC=CC4=C3N(C2=O)C=C4)O
Herb Alias Names
88660-12-2DTXSID602372347H-Pyrrolo(3,2,1-de)phenanthridin-7-one, 9-hydroxy-10-methoxy-5-hydroxy-4-methoxy-9-azatetracyclo(7.6.1.02,7.012,16)hexadeca-1(15),2,4,6,10,12(16),13-heptaen-8-one5-hydroxy-4-methoxy-9-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2,4,6,10,12(16),13-heptaen-8-oneCHEMBL4076568DTXCID60159725AKOS04073414688860-12-2
Molecular Weight
265.26 g/mol
Molecular Formula
C16H11NO3
Num Rotatable Bonds
1