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
- 20071
- Core Entity Id
- 25488
- Source Entity Count
- 1
- Preferred Name
- Germanaism a
- Name En
- Pubchem Id
- 10929239
- Smiles Canonical
- COC1=C(C=CC(=C1)C2=COC3=CC4=C(C(=C3C2=O)OC)OCO4)OC5C(C(C(C(O5)CO)O)O)O
- Molecular Formula
- C24H24O12
- Molecular Weight
- 504.4440
- Inchikey
- KLWNTVOUNRWTLN-OREFEKLXSA-N
- Inchi
- InChI=1S/C24H24O12/c1-30-13-5-10(3-4-12(13)35-24-21(29)20(28)19(27)16(7-25)36-24)11-8-32-14-6-15-22(34-9-33-15)23(31-2)17(14)18(11)26/h3-6,8,16,19-21,24-25,27-29H,7,9H2,1-2H3/t16-,19-,20+,21-,24-/m1/s1
- Isomeric Smiles
- COC1=C(C=CC(=C1)C2=COC3=CC4=C(C(=C3C2=O)OC)OCO4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- 0.3846
- Num H Donors
- 4
- Num H Acceptors
- 12
- Num Rotatable Bonds
- 6
- Drug Likeness
- 0.3650
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Germanaism A
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Germanaism A
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Germanaism a
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Germanaism a
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
德国鸢尾
Role
TCM_name
Source
TCMBank
Preferred
No
Name
DE GUO YUAN WEI
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
German Iris
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
德国鸢尾DE GUO YUAN WEIGerman Iris
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN027580
Npass
NPC19109
Tcmid
8348
Pub Chem
10929239
Tcmbank
TCMBANKIN044367
Etcm Ingredient
Germanaism A
Itcmdb Generated
ITX-INGREDIENT-22BC13AD09C3
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C24H24O12/c1-30-13-5-10(3-4-12(13)35-24-21(29)20(28)19(27)16(7-25)36-24)11-8-32-14-6-15-22(34-9-33-15)23(31-2)17(14)18(11)26/h3-6,8,16,19-21,24-25,27-29H,7,9H2,1-2H3/t16-,19-,20+,21-,24-/m1/s1
Mol Wt
504.4440000000002
Mol Log P
0.3845999999999986
In Ch Ikey
KLWNTVOUNRWTLN-OREFEKLXSA-N
Tcm Name
德国鸢尾
Tcm Name2
DE GUO YUAN WEI
Mol2 Path
/TCM_database/2007_3d_all/08349.mol2
Reference
4223
Num Hdonors
4
Tcm Name En
German Iris
Drug Likeness
0.365
Num Hacceptors
12
Isomeric Smiles
COC1=C(C=CC(=C1)C2=COC3=CC4=C(C(=C3C2=O)OC)OCO4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O
Canonical Smiles
COC1=C(C=CC(=C1)C2=COC3=CC4=C(C(=C3C2=O)OC)OCO4)OC5C(C(C(C(O5)CO)O)O)O
Molecular Weight
504.130
Molecular Formula
C24H24O12
Molecular Formula
C24H24O12
Num Rotatable Bonds
6
Fda Maximum Daily Dose (Fdamdd)
0.011
Quantitative Estimate Of Drug Likeness（Qed）
0.365