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
- 18035
- Core Entity Id
- 23222
- Source Entity Count
- 1
- Preferred Name
- Enanderianin f
- Name En
- Pubchem Id
- 101223773
- Smiles Canonical
- CC(=O)OCC1(CCC2C34C1C(OC3)OC5C4C6(CC(C5)C(=C)C6=O)C(=O)O2)C
- Molecular Formula
- C22H26O7
- Molecular Weight
- 402.4430
- Inchikey
- CYAORDQHZAHYIE-FBCPPZSISA-N
- Inchi
- InChI=1S/C22H26O7/c1-10-12-6-13-15-21(7-12,17(10)24)19(25)29-14-4-5-20(3,8-26-11(2)23)16-18(28-13)27-9-22(14,15)16/h12-16,18H,1,4-9H2,2-3H3/t12-,13?,14?,15+,16+,18-,20-,21+,22-/m0/s1
- Isomeric Smiles
- CC(=O)OC[C@@]1(CCC2[C@@]34[C@@H]1[C@@H](OC3)OC5[C@@H]4[C@@]6(C[C@H](C5)C(=C)C6=O)C(=O)O2)C
- Cas Id
- Ob Score
- Mol Logp
- 1.7842
- Num H Donors
- 0
- Num H Acceptors
- 7
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.3950
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Enanderianin F
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Enanderianin F
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Enanderianin f
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Enanderianin f
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
紫毛香茶菜
Role
TCM_name
Source
TCMBank
Preferred
No
Name
ZI MAO XIANG CHA CAI
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Purplehair Rabdosia
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
紫毛香茶菜ZI MAO XIANG CHA CAIPurplehair Rabdosia
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN025060
Npass
NPC264619
Tcmid
6785
Pub Chem
101223773
Tcmbank
TCMBANKIN043351
Etcm Ingredient
Enanderianin F
Itcmdb Generated
ITX-INGREDIENT-FF03A8DA3F45
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C22H26O7/c1-10-12-6-13-15-21(7-12,17(10)24)19(25)29-14-4-5-20(3,8-26-11(2)23)16-18(28-13)27-9-22(14,15)16/h12-16,18H,1,4-9H2,2-3H3/t12-,13?,14?,15+,16+,18-,20-,21+,22-/m0/s1
Mol Wt
402.4430000000003
Mol Log P
1.7842
In Ch Ikey
CYAORDQHZAHYIE-FBCPPZSISA-N
Tcm Name
紫毛香茶菜
Tcm Name2
ZI MAO XIANG CHA CAI
Mol2 Path
/TCM_database/2007_3d_all/06786.mol2
Reference
1948
Num Hdonors
0
Tcm Name En
Purplehair Rabdosia
Drug Likeness
0.395
Num Hacceptors
7
Isomeric Smiles
CC(=O)OC[C@@]1(CCC2[C@@]34[C@@H]1[C@@H](OC3)OC5[C@@H]4[C@@]6(C[C@H](C5)C(=C)C6=O)C(=O)O2)C
Canonical Smiles
CC(=O)OCC1(CCC2C34C1C(OC3)OC5C4C6(CC(C5)C(=C)C6=O)C(=O)O2)C
Molecular Weight
400.190
Molecular Formula
C23H28O6
Molecular Formula
C22H26O7
Num Rotatable Bonds
2
Fda Maximum Daily Dose (Fdamdd)
0.886
Quantitative Estimate Of Drug Likeness（Qed）
0.402