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
- 20249
- Core Entity Id
- 25687
- Source Entity Count
- 1
- Preferred Name
- Glabcensin v
- Name En
- Pubchem Id
- 5317641
- Smiles Canonical
- CC(=O)OC1CCC2(C3C(CC4CC3(C(C(C2C1(C)C)O)OC(=O)C)C(=O)C4=C)O)C
- Molecular Formula
- C24H34O7
- Molecular Weight
- 434.5290
- Inchikey
- XZPDAMUMGORTPO-HZWKRDQHSA-N
- Inchi
- InChI=1S/C24H34O7/c1-11-14-9-15(27)18-23(6)8-7-16(30-12(2)25)22(4,5)19(23)17(28)21(31-13(3)26)24(18,10-14)20(11)29/h14-19,21,27-28H,1,7-10H2,2-6H3/t14-,15+,16+,17-,18+,19-,21+,23+,24+/m1/s1
- Isomeric Smiles
- CC(=O)O[C@H]1CC[C@]2([C@@H]3[C@H](C[C@@H]4C[C@@]3([C@H]([C@@H]([C@@H]2C1(C)C)O)OC(=O)C)C(=O)C4=C)O)C
- Cas Id
- Ob Score
- Mol Logp
- 2.1792
- Num H Donors
- 2
- Num H Acceptors
- 7
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.5060
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Glabcensin V
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Glabcensin V
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Glabcensin v
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Glabcensin v
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
HBIN027838
Npass
NPC93362
Tcmid
8482
Pub Chem
5317641
Tcmbank
TCMBANKIN049069
Etcm Ingredient
Glabcensin V
Itcmdb Generated
ITX-INGREDIENT-A7E12354BA58
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C24H34O7/c1-11-14-9-15(27)18-23(6)8-7-16(30-12(2)25)22(4,5)19(23)17(28)21(31-13(3)26)24(18,10-14)20(11)29/h14-19,21,27-28H,1,7-10H2,2-6H3/t14-,15+,16+,17-,18+,19-,21+,23+,24+/m1/s1
Mol Wt
434.5290000000002
Mol Log P
2.1792
In Ch Ikey
XZPDAMUMGORTPO-HZWKRDQHSA-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/08483.mol2
Reference
1869, 4067, 4955
Num Hdonors
2
Tcm Name En
Hairstalk Narrowleaf Rabdosia*
Drug Likeness
0.506
Num Hacceptors
7
Isomeric Smiles
CC(=O)O[C@H]1CC[C@]2([C@@H]3[C@H](C[C@@H]4C[C@@]3([C@H]([C@@H]([C@@H]2C1(C)C)O)OC(=O)C)C(=O)C4=C)O)C
Canonical Smiles
CC(=O)OC1CCC2(C3C(CC4CC3(C(C(C2C1(C)C)O)OC(=O)C)C(=O)C4=C)O)C
Molecular Weight
434.230
Molecular Weight
434.5 g/mol
Molecular Formula
C24H34O7
Molecular Formula
C24H34O7
Num Rotatable Bonds
2
Fda Maximum Daily Dose (Fdamdd)
0.613
Quantitative Estimate Of Drug Likeness（Qed）
0.506