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: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 18269
- Core Entity Id
- 23483
- Source Entity Count
- 1
- Preferred Name
- Epi-maoecrystal p
- Name En
- Pubchem Id
- 21593824
- Smiles Canonical
- CC1(C=CC(=O)C23C1C(C(C45C2CCC(C4)C(C5=O)COC)(OC3)O)O)C
- Molecular Formula
- C21H28O6
- Molecular Weight
- 376.4490
- Inchikey
- GRVKDXCMPKWIPB-CYOCZRGGSA-N
- Inchi
- InChI=1S/C21H28O6/c1-18(2)7-6-14(22)19-10-27-21(25,17(24)15(18)19)20-8-11(4-5-13(19)20)12(9-26-3)16(20)23/h6-7,11-13,15,17,24-25H,4-5,8-10H2,1-3H3/t11-,12+,13+,15-,17+,19-,20+,21-/m1/s1
- Isomeric Smiles
- CC1(C=CC(=O)[C@]23[C@@H]1[C@@H]([C@]([C@]45[C@H]2CC[C@H](C4)[C@@H](C5=O)COC)(OC3)O)O)C
- Cas Id
- Ob Score
- Mol Logp
- 1.0954
- Num H Donors
- 2
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.7500
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Epi-maoecrystal P
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Epi-maoecrystal P
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Epi-maoecrystal p
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Epi-maoecrystal p
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
毛萼香茶菜
Role
TCM_name
Source
TCMBank
Preferred
No
Name
MAO E XIANG CHA CAI
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Hairysepal Rabdosia
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
Maoecrystal Q
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Maoecrystal q
Role
preferred
Source
HERB_v2
Preferred
Yes
Aliases
Additional names normalized into the restored final schema.
毛萼香茶菜MAO E XIANG CHA CAIHairysepal RabdosiaMaoecrystal Q
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN025372HBIN034457
Tcmid
695713531
Pub Chem
2159382421593825
Tcmbank
TCMBANKIN009416TCMBANKIN004488
Etcm Ingredient
Epi-maoecrystal PMaoecrystal Q
Itcmdb Generated
ITX-INGREDIENT-3CCD2BA19610ITX-INGREDIENT-4447E4510984ITX-INGREDIENT-BFF97AD26BC6ITX-INGREDIENT-C5FE6DA7563A
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C21H28O6/c1-18(2)7-6-14(22)19-10-27-21(25,17(24)15(18)19)20-8-11(4-5-13(19)20)12(9-26-3)16(20)23/h6-7,11-13,15,17,24-25H,4-5,8-10H2,1-3H3/t11-,12+,13+,15-,17+,19-,20+,21-/m1/s1
Mol Wt
376.4490000000001
Mol Log P
1.0954
In Ch Ikey
GRVKDXCMPKWIPB-CYOCZRGGSA-N
Tcm Name
毛萼香茶菜
Tcm Name2
MAO E XIANG CHA CAI
Mol2 Path
/TCM_database/2007_3d_all/06958.mol2
Reference
4067
Num Hdonors
2
Tcm Name En
Hairysepal Rabdosia
Drug Likeness
0.75
Num Hacceptors
6
Isomeric Smiles
CC1(C=CC(=O)[C@]23[C@@H]1[C@@H]([C@]([C@]45[C@H]2CC[C@H](C4)[C@@H](C5=O)COC)(OC3)O)O)C
Canonical Smiles
CC1(C=CC(=O)C23C1C(C(C45C2CCC(C4)C(C5=O)COC)(OC3)O)O)C
Molecular Weight
376.190
Molecular Formula
C21H28O6
Molecular Formula
C21H28O6
Num Rotatable Bonds
2
Fda Maximum Daily Dose (Fdamdd)
0.824
Quantitative Estimate Of Drug Likeness（Qed）
0.750