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
- 21965
- Core Entity Id
- 27600
- Source Entity Count
- 1
- Preferred Name
- Icariol a1
- Name En
- Pubchem Id
- 71435028
- Smiles Canonical
- COC1=CC(=CC(=C1O)OC)C(=O)C(CO)OC2=C(C=C(C=C2)CCCO)OC
- Molecular Formula
- C21H26O8
- Molecular Weight
- 406.4310
- Inchikey
- OBLZEQONZQCOAS-UHFFFAOYSA-N
- Inchi
- InChI=1S/C21H26O8/c1-26-16-9-13(5-4-8-22)6-7-15(16)29-19(12-23)20(24)14-10-17(27-2)21(25)18(11-14)28-3/h6-7,9-11,19,22-23,25H,4-5,8,12H2,1-3H3
- Isomeric Smiles
- COC1=CC(=CC(=C1O)OC)C(=O)C(CO)OC2=C(C=C(C=C2)CCCO)OC
- Cas Id
- Ob Score
- Mol Logp
- 1.9655
- Num H Donors
- 3
- Num H Acceptors
- 8
- Num Rotatable Bonds
- 11
- Drug Likeness
- 0.4850
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Icariol A1
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Icariol A1
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Icariol a1
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Icariol a1
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
箭叶淫羊藿
Role
TCM_name
Source
TCMBank
Preferred
No
Name
JIAN YE YIN YANG HUO
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Sagittate Epimedium
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
135743-06-5
Role
alias
Source
itcmdb_public
Preferred
No
Name
135743-06-5
Role
alias
Source
HERB_v2
Preferred
No
Name
3-(4-Hydroxy-3,5-dimethoxyphenyl)-2-[[4-(3-hydroxypropyl)-2-methoxyphenyl]oxy]-1-hydroxypropan-3-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-(4-Hydroxy-3,5-dimethoxyphenyl)-2-[[4-(3-hydroxypropyl)-2-methoxyphenyl]oxy]-1-hydroxypropan-3-one
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
箭叶淫羊藿JIAN YE YIN YANG HUOSagittate Epimedium135743-06-53-(4-Hydroxy-3,5-dimethoxyphenyl)-2-[[4-(3-hydroxypropyl)-2-methoxyphenyl]oxy]-1-hydroxypropan-3-one
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN029925
Tcmid
10939
Pub Chem
71435028
Tcmbank
TCMBANKIN042813
Etcm Ingredient
Icariol A1
Itcmdb Generated
ITX-INGREDIENT-07B655CB4C90
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C21H26O8/c1-26-16-9-13(5-4-8-22)6-7-15(16)29-19(12-23)20(24)14-10-17(27-2)21(25)18(11-14)28-3/h6-7,9-11,19,22-23,25H,4-5,8,12H2,1-3H3
Mol Wt
406.4310000000002
Mol Log P
1.9655
In Ch Ikey
OBLZEQONZQCOAS-UHFFFAOYSA-N
Tcm Name
箭叶淫羊藿
Tcm Name2
JIAN YE YIN YANG HUO
Mol2 Path
/TCM_database/2007_3d_all/10940.mol2
Reference
660
Num Hdonors
3
Tcm Name En
Sagittate Epimedium
Drug Likeness
0.485
Num Hacceptors
8
Isomeric Smiles
COC1=CC(=CC(=C1O)OC)C(=O)C(CO)OC2=C(C=C(C=C2)CCCO)OC
Canonical Smiles
COC1=CC(=CC(=C1O)OC)C(=O)C(CO)OC2=C(C=C(C=C2)CCCO)OC
Herb Alias Names
135743-06-53-(4-Hydroxy-3,5-dimethoxyphenyl)-2-[[4-(3-hydroxypropyl)-2-methoxyphenyl]oxy]-1-hydroxypropan-3-one
Molecular Weight
406.160
Molecular Formula
C21H26O8
Molecular Formula
C21H26O8
Num Rotatable Bonds
11
Fda Maximum Daily Dose (Fdamdd)
0.030
Quantitative Estimate Of Drug Likeness（Qed）
0.485