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
- 20230
- Core Entity Id
- 25667
- Source Entity Count
- 1
- Preferred Name
- Glabcensin c
- Name En
- Pubchem Id
- 10505290
- Smiles Canonical
- CC(=O)OC1CC2CC3(C1C4(CC(C(C(C4C(C3OC(=O)C)O)(C)C)OC(=O)C)O)C)C(=O)C2=C
- Molecular Formula
- C26H36O9
- Molecular Weight
- 492.5650
- Inchikey
- KKZYXFGLKVVZAP-IUAOKVTQSA-N
- Inchi
- InChI=1S/C26H36O9/c1-11-15-8-17(33-12(2)27)19-25(7)10-16(30)22(34-13(3)28)24(5,6)20(25)18(31)23(35-14(4)29)26(19,9-15)21(11)32/h15-20,22-23,30-31H,1,8-10H2,2-7H3/t15-,16+,17+,18-,19+,20-,22+,23+,25+,26+/m1/s1
- Isomeric Smiles
- CC(=O)O[C@H]1C[C@@H]2C[C@]3([C@@H]1[C@@]4(C[C@@H]([C@@H](C([C@H]4[C@H]([C@@H]3OC(=O)C)O)(C)C)OC(=O)C)O)C)C(=O)C2=C
- Cas Id
- Ob Score
- Mol Logp
- 1.7208
- Num H Donors
- 2
- Num H Acceptors
- 9
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.3430
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Glabcensin C
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Glabcensin c
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Glabcensin c
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
HBIN027819
Tcmid
8463
Pub Chem
10505290
Tcmbank
TCMBANKIN041556
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C26H36O9/c1-11-15-8-17(33-12(2)27)19-25(7)10-16(30)22(34-13(3)28)24(5,6)20(25)18(31)23(35-14(4)29)26(19,9-15)21(11)32/h15-20,22-23,30-31H,1,8-10H2,2-7H3/t15-,16+,17+,18-,19+,20-,22+,23+,25+,26+/m1/s1
Mol Wt
492.5650000000004
Mol Log P
1.7208
In Ch Ikey
KKZYXFGLKVVZAP-IUAOKVTQSA-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/08464.mol2
Reference
4067
Num Hdonors
2
Tcm Name En
Hairstalk Narrowleaf Rabdosia*
Drug Likeness
0.343
Num Hacceptors
9
Isomeric Smiles
CC(=O)O[C@H]1C[C@@H]2C[C@]3([C@@H]1[C@@]4(C[C@@H]([C@@H](C([C@H]4[C@H]([C@@H]3OC(=O)C)O)(C)C)OC(=O)C)O)C)C(=O)C2=C
Canonical Smiles
CC(=O)OC1CC2CC3(C1C4(CC(C(C(C4C(C3OC(=O)C)O)(C)C)OC(=O)C)O)C)C(=O)C2=C
Molecular Weight
492.6 g/mol
Molecular Formula
C26H36O9
Num Rotatable Bonds
3