Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 31920
- Core Entity Id
- 38670
- Source Entity Count
- 1
- Preferred Name
- Ribalinine
- Name En
- Pubchem Id
- 932818
- Smiles Canonical
- CC1(C(CC2=C(O1)N(C3=CC=CC=C3C2=O)C)O)C
- Molecular Formula
- C15H17NO3
- Molecular Weight
- 259.3050
- Inchikey
- HUPKGVIVTBASQC-LBPRGKRZSA-N
- Inchi
- InChI=1S/C15H17NO3/c1-15(2)12(17)8-10-13(18)9-6-4-5-7-11(9)16(3)14(10)19-15/h4-7,12,17H,8H2,1-3H3/t12-/m0/s1
- Isomeric Smiles
- CC1([C@H](CC2=C(O1)N(C3=CC=CC=C3C2=O)C)O)C
- Cas Id
- Ob Score
- Mol Logp
- 1.6129
- Num H Donors
- 1
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.7820
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Ribalinine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Ribalinine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Ribalinine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Ribalinine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
野花椒皮
Role
TCM_name
Source
TCMBank
Preferred
No
Name
YE HUA JIAO PI
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Flatspine Pricklyash Bark
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
(3S)-3-hydroxy-2,2,10-trimethyl-3,4-dihydropyrano[2,3-b]quinolin-5-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
(3S)-3-hydroxy-2,2,10-trimethyl-3,4-dihydropyrano[2,3-b]quinolin-5-one
Role
alias
Source
HERB_v2
Preferred
No
Name
(S)-(-)-Ribalinine
Role
alias
Source
itcmdb_public
Preferred
No
Name
(S)-(-)-Ribalinine
Role
alias
Source
HERB_v2
Preferred
No
Name
AKOS040753757
Role
alias
Source
HERB_v2
Preferred
No
Name
AKOS040753757
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID20998177
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID20998177
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
野花椒皮YE HUA JIAO PIFlatspine Pricklyash Bark(3S)-3-hydroxy-2,2,10-trimethyl-3,4-dihydropyrano[2,3-b]quinolin-5-one(S)-(-)-RibalinineAKOS040753757DTXSID20998177
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN042303
Npass
NPC284323
Tcmid
18815
Pub Chem
932818
Tcmbank
TCMBANKIN041886
Etcm Ingredient
Ribalinine
Itcmdb Generated
ITX-INGREDIENT-EF7AB91A633B
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C15H17NO3/c1-15(2)12(17)8-10-13(18)9-6-4-5-7-11(9)16(3)14(10)19-15/h4-7,12,17H,8H2,1-3H3/t12-/m0/s1
Mol Wt
259.305
Mol Log P
1.6129
In Ch Ikey
HUPKGVIVTBASQC-LBPRGKRZSA-N
Tcm Name
野花椒皮
Tcm Name2
YE HUA JIAO PI
Mol2 Path
/TCM_database/2007_3d_all/18830.mol2
Reference
660
Num Hdonors
1
Tcm Name En
Flatspine Pricklyash Bark
Drug Likeness
0.782
Num Hacceptors
4
Isomeric Smiles
CC1([C@H](CC2=C(O1)N(C3=CC=CC=C3C2=O)C)O)C
Canonical Smiles
CC1(C(CC2=C(O1)N(C3=CC=CC=C3C2=O)C)O)C
Herb Alias Names
(3S)-3-hydroxy-2,2,10-trimethyl-3,4-dihydropyrano[2,3-b]quinolin-5-one(S)-(-)-RibalinineDTXSID20998177AKOS040753757
Molecular Weight
259.120
Molecular Weight
259.3 g/mol
Molecular Formula
C15H17NO3
Molecular Formula
C15H17NO3
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.514
Quantitative Estimate Of Drug Likeness（Qed）
0.782