Relationship Network
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Herb: 3Ingredient: 1Links: 3
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Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 11104
- Core Entity Id
- 15507
- Source Entity Count
- 1
- Preferred Name
- Apigenin-7-o-beta-d-(6''-p-courmaroyl)-glucoside
- Name En
- Pubchem Id
- 162916374
- Smiles Canonical
- O=C(/C=C/c1ccc(O)cc1)OC[C@H]1O[C@H](Oc2cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc3c2)[C@H](O)[C@@H](O)[C@@H]1O
- Molecular Formula
- C30H26O12
- Molecular Weight
- 578.1400
- Inchikey
- WPQRDUGBKUNFJW-LZHVJMPPSA-N
- Inchi
- InChI=1S/C30H26O12/c31-17-6-1-15(2-7-17)3-10-25(35)39-14-24-27(36)28(37)29(38)30(42-24)40-19-11-20(33)26-21(34)13-22(41-23(26)12-19)16-4-8-18(32)9-5-16/h1-13,24,27-33,36-38H,14H2/b10-3+/t24-,27-,28+,29-,30+/m1/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 2.6000
- Num H Donors
- 6
- Num H Acceptors
- 12
- Num Rotatable Bonds
- 8
- Drug Likeness
- Polar Surface Area
- 192.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Apigenin-7-O-Beta-D-(6''-P-Courmaroyl)-Glucoside
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Apigenin-7-O-Beta-D-(6''-P-Courmaroyl)-Glucoside
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Apigenin-7-O-beta-D-(6''-p-courmaroyl)-glucoside
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Apigenin-7-o-beta-d-(6''-p-courmaroyl)-glucoside
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Apigenin-7-o-beta-d-(6''-p-courmaroyl)-glucoside
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
apigenin-7-o-beta-d-(6''-p-courmaroyl)-glucoside
Role
preferred
Source
TCMBank
Preferred
Yes
Name
广藿香;毛白杨
Role
TCM_name
Source
TCMBank
Preferred
No
Name
GUANG HUO XIANG;MAO BAI YANG
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
CabIin PatchouIi;Chinese White PopIar
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
apigenin-7-o-β-d-(6''-p-courmaroyl)-glucoside
Role
alias
Source
HERB_v2
Preferred
No
Name
apigenin-7-o-β-d-(6''-p-courmaroyl)-glucoside
Role
alias
Source
TCMBank
Preferred
No
Name
apigenin-7-o-β-d-(6''-p-courmaroyl)-glucoside
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
广藿香;毛白杨GUANG HUO XIANG;MAO BAI YANGCabIin PatchouIi;Chinese White PopIarapigenin-7-o-β-d-(6''-p-courmaroyl)-glucoside
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN016451
Tcmid
148530615
Sym Map
SMIT22389
Tcmbank
TCMBANKIN027167TCMBANKIN055120
Etcm Ingredient
Apigenin-7-O-beta-D-(6''-p-courmaroyl)-glucoside
Itcmdb Generated
ITX-INGREDIENT-534AB861F1AEITX-INGREDIENT-8EA95DC80E0AITX-INGREDIENT-CFE35E3332B0
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
Smiles
c1(O[H])c([H])c([H])c(\C([H])=C([H])\C(=O)OC([H])([H])[C@@]2([H])O[C@]([H])(Oc3c([H])c(OC(c4c([H])c([H])c(O[H])c([H])c4[H])=C([H])C5=O)c5c(O[H])c3[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]2([H])O[H])c([H
])c1[H]
Version
v2
Suppress
0
Tcm Name
广藿香;毛白杨
Tcm Name2
GUANG HUO XIANG;MAO BAI YANG
Mol2 Path
/TCM_database/2003_3d_all/540.mol2
Reference
2, 269, 660
Tcm Name En
CabIin PatchouIi;Chinese White PopIar
Herb Alias Names
apigenin-7-o-β-d-(6''-p-courmaroyl)-glucoside
Molecular Weight
578.140
Molecular Formula
C30H26O12
Molecular Formula
C30H26O12
Molecular Formula
C30H26O12
Fda Maximum Daily Dose (Fdamdd)
0.072
Quantitative Estimate Of Drug Likeness（Qed）
0.138