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
- 20235
- Core Entity Id
- 25673
- Source Entity Count
- 1
- Preferred Name
- Glabcensin h
- Name En
- Pubchem Id
- 10837262
- Smiles Canonical
- CC(=O)OC1CC2(C3C(CC4CC3(C(C(C2C(C1O)(C)C)O)OC(=O)C)C(=O)C4=C)O)C
- Molecular Formula
- C24H34O8
- Molecular Weight
- 450.5280
- Inchikey
- HPJIOIQEFOBADG-QTSGZYBCSA-N
- Inchi
- InChI=1S/C24H34O8/c1-10-13-7-14(27)17-23(6)9-15(31-11(2)25)20(30)22(4,5)18(23)16(28)21(32-12(3)26)24(17,8-13)19(10)29/h13-18,20-21,27-28,30H,1,7-9H2,2-6H3/t13-,14+,15+,16-,17+,18-,20+,21+,23+,24+/m1/s1
- Isomeric Smiles
- CC(=O)O[C@H]1C[C@]2([C@@H]3[C@H](C[C@@H]4C[C@@]3([C@H]([C@@H]([C@@H]2C([C@H]1O)(C)C)O)OC(=O)C)C(=O)C4=C)O)C
- Cas Id
- Ob Score
- Mol Logp
- 1.1500
- Num H Donors
- 3
- Num H Acceptors
- 8
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.4220
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Glabcensin H
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Glabcensin h
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Glabcensin h
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
毛梗狭叶香茶菜
Role
TCM_name
Source
TCMBank
Preferred
No
Name
MAO GENG XIA YE XIANG CHA CAI
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Hairstalk Narrowleaf Rabdosia*
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
毛梗狭叶香茶菜MAO GENG XIA YE XIANG CHA CAIHairstalk Narrowleaf Rabdosia*
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN027824
Tcmid
8468
Pub Chem
10837262
Tcmbank
TCMBANKIN039364
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C24H34O8/c1-10-13-7-14(27)17-23(6)9-15(31-11(2)25)20(30)22(4,5)18(23)16(28)21(32-12(3)26)24(17,8-13)19(10)29/h13-18,20-21,27-28,30H,1,7-9H2,2-6H3/t13-,14+,15+,16-,17+,18-,20+,21+,23+,24+/m1/s1
Mol Wt
450.5280000000002
Mol Log P
1.15
In Ch Ikey
HPJIOIQEFOBADG-QTSGZYBCSA-N
Tcm Name
毛梗狭叶香茶菜
Tcm Name2
MAO GENG XIA YE XIANG CHA CAI
Mol2 Path
/TCM_database/2007_3d_all/08469.mol2
Reference
4067
Num Hdonors
3
Tcm Name En
Hairstalk Narrowleaf Rabdosia*
Drug Likeness
0.422
Num Hacceptors
8
Isomeric Smiles
CC(=O)O[C@H]1C[C@]2([C@@H]3[C@H](C[C@@H]4C[C@@]3([C@H]([C@@H]([C@@H]2C([C@H]1O)(C)C)O)OC(=O)C)C(=O)C4=C)O)C
Canonical Smiles
CC(=O)OC1CC2(C3C(CC4CC3(C(C(C2C(C1O)(C)C)O)OC(=O)C)C(=O)C4=C)O)C
Molecular Weight
450.5 g/mol
Molecular Formula
C24H34O8
Num Rotatable Bonds
2