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
- 8953
- Core Entity Id
- 13118
- Source Entity Count
- 1
- Preferred Name
- 8-o-e-p-methoxycinnamoylharpagide
- Name En
- Pubchem Id
- 162826315
- Smiles Canonical
- COc1ccc(/C=C/C(=O)O[C@@]2(C)C[C@@H](O)[C@]3(O)C=CO[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@@]32C)cc1
- Molecular Formula
- C25H32O12
- Molecular Weight
- 539.0000
- Inchikey
- GBDSUJYLYLPXJB-NADOTPHTSA-N
- Inchi
- InChI=1S/C26H34O12/c1-24(38-18(29)9-6-14-4-7-15(34-3)8-5-14)12-17(28)26(33)10-11-35-23(25(24,26)2)37-22-21(32)20(31)19(30)16(13-27)36-22/h4-11,16-17,19-23,27-28,30-33H,12-13H2,1-3H3/b9-6+/t16-,17-,19+,20+,21-,22+,23+,24+,25-,26-/m1/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- -1.0000
- Num H Donors
- 6
- Num H Acceptors
- 12
- Num Rotatable Bonds
- 8
- Drug Likeness
- Polar Surface Area
- 185.0000
- Molecular Volume
- 352.0000
- Alogp
- -1.0000
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
8-o-(e-p-methoxycinnamoyl)harpagide
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
8-o-(e-p-methoxycinnamoyl)harpagide
Role
preferred
Source
TCMBank
Preferred
Yes
Name
8-o-e-p-methoxycinnamoylharpagide
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
8-o-e-p-methoxycinnamoylharpagide
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
玄蔘
Role
TCM_name
Source
TCMBank
Preferred
No
Name
Scrophularia ningpoensis
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
2.清热药(64-64)
Role
level1_name
Source
TCMBank
Preferred
No
Name
heat-clearing medicinal
Role
level1_name_en
Source
TCMBank
Preferred
No
Name
4.清热凉血药(6-6)
Role
level2_name
Source
TCMBank
Preferred
No
Name
heat-clearing and blood-cooling medicinal
Role
level2_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
8-o-(e-p-methoxycinnamoyl)harpagide玄蔘Scrophularia ningpoensis2.清热药(64-64)heat-clearing medicinal4.清热凉血药(6-6)heat-clearing and blood-cooling medicinal
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN013855
Tcmid
13883
Tcmbank
TCMBANKIN010041
Etcm Ingredient
8-o-(e-p-methoxycinnamoyl)harpagide
Itcmdb Generated
ITX-INGREDIENT-75E841E939ECITX-INGREDIENT-AF3C33F0F5B3
Attributes
Merged source attributes and domain-specific metadata.
Alog P
-1
Smiles
c1([H])c(\C([H])=C([H])\C(O[C@@](C([H])([H])[H])(C([H])([H])[C@@]2([H])O[H])[C@@](C([H])([H])[H])([C@]([H])(O[C@]3([H])O[C@]([H])(C([H])([H])O[H])[C@]([H])(O[H])[C@]([H])(O[H])[C@@]3([H])O[H])OC([H])=
C4[H])[C@]24O[H])=O)c([H])c([H])c(OC([H])([H])[H])c1[H]
37 Flag
37
C Count
26
N Count
0
O Count
12
P Count
0
S Count
0
Tcm Name
玄蔘
Mol2 Path
/TCM_database/2.清热药(64-64)/4.清热凉血药(6-6)/玄蔘/structure/8-o-(e-p-methoxycinnamoyl)harpagide.mol2
Tcm Name En
Scrophularia ningpoensis
Level1 Name
2.清热药(64-64)
Level2 Name
4.清热凉血药(6-6)
Num H Donors
6
Level1 Name En
heat-clearing medicinal
Level2 Name En
heat-clearing and blood-cooling medicinal
Num H Acceptors
12
Molecular Weight
538.210
Molecular Volume
352
Molecular Weight
539
Molecular Formula
C26H34O12
Molecular Formula
C26H34O12
Molecular Formula
C25H32O12
Num Rotatable Bonds
8
Molecular Polar Surface Area
185
Fda Maximum Daily Dose (Fdamdd)
0.379
Quantitative Estimate Of Drug Likeness（Qed）
0.188