Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
Click a node to open it in a new tab
Herb: 3Ingredient: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 22845
- Core Entity Id
- 28578
- Source Entity Count
- 1
- Preferred Name
- Isoplatydesmine
- Name En
- Pubchem Id
- 11219133
- Smiles Canonical
- CC(C)(C1CC2=C(O1)N(C3=CC=CC=C3C2=O)C)O
- Molecular Formula
- C15H17NO3
- Molecular Weight
- 259.3050
- Inchikey
- VLHROMVHVKMNLA-UHFFFAOYSA-N
- Inchi
- InChI=1S/C15H17NO3/c1-15(2,18)12-8-10-13(17)9-6-4-5-7-11(9)16(3)14(10)19-12/h4-7,12,18H,8H2,1-3H3
- Isomeric Smiles
- CC(C)(C1CC2=C(O1)N(C3=CC=CC=C3C2=O)C)O
- Cas Id
- Ob Score
- Mol Logp
- 1.6129
- Num H Donors
- 1
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.8460
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Isoplatydesmine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Isoplatydesmine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Isoplatydesmine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Isoplatydesmine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
臭山羊
Role
TCM_name
Source
TCMBank
Preferred
No
Name
CHOU SHAN YANG
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Japanese Orixa
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
2-(2-hydroxypropan-2-yl)-9-methyl-2,3-dihydrofuro[2,3-b]quinolin-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
2-(2-hydroxypropan-2-yl)-9-methyl-2,3-dihydrofuro[2,3-b]quinolin-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL21394
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL21394
Role
alias
Source
HERB_v2
Preferred
No
Name
(S)-(+)-Isoplatydesmine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(s)-(+)-isoplatydesmine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
似肉托果叶蜜茱萸
Role
TCM_name
Source
TCMBank
Preferred
No
Name
SI ROU TUO GUO YE MI ZHU YU
Role
TCM_name2
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
臭山羊CHOU SHAN YANGJapanese Orixa2-(2-hydroxypropan-2-yl)-9-methyl-2,3-dihydrofuro[2,3-b]quinolin-4-oneCHEMBL21394(S)-(+)-Isoplatydesmine似肉托果叶蜜茱萸SI ROU TUO GUO YE MI ZHU YU
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN031041HBIN044147
Npass
NPC12669
Tcmid
1160311602
Pub Chem
11219133638263
Tcmbank
TCMBANKIN048059TCMBANKIN012546TCMBANKIN059106
Etcm Ingredient
Isoplatydesmine
Itcmdb Generated
ITX-INGREDIENT-91CC2081722BITX-INGREDIENT-02BDBB5EE6F6
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C15H17NO3/c1-15(2,18)12-8-10-13(17)9-6-4-5-7-11(9)16(3)14(10)19-12/h4-7,12,18H,8H2,1-3H3
Mol Wt
259.305
Smiles
CC(C)(C1CC2=C(O1)N(C3=CC=CC=C3C2=O)C)O
Mol Log P
1.6129
In Ch Ikey
VLHROMVHVKMNLA-UHFFFAOYSA-N
Tcm Name
臭山羊
Tcm Name2
CHOU SHAN YANG
Mol2 Path
/TCM_database/2007_3d_all/11606.mol2
Reference
660
Num Hdonors
1
Tcm Name En
Japanese Orixa
Drug Likeness
0.846
Num Hacceptors
4
Isomeric Smiles
CC(C)(C1CC2=C(O1)N(C3=CC=CC=C3C2=O)C)O
Canonical Smiles
CC(C)(C1CC2=C(O1)N(C3=CC=CC=C3C2=O)C)O
Herb Alias Names
CHEMBL213942-(2-hydroxypropan-2-yl)-9-methyl-2,3-dihydrofuro[2,3-b]quinolin-4-one
Molecular Weight
259.120
Molecular Weight
259.3 g/mol
Molecular Formula
C15H17NO3
Molecular Formula
C15H17NO3
Molecular Formula
C15H17NO3
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.648
Quantitative Estimate Of Drug Likeness（Qed）
0.846