Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 5Ingredient: 1Links: 5
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 21975
- Core Entity Id
- 27611
- Source Entity Count
- 1
- Preferred Name
- Icariside b2
- Name En
- Pubchem Id
- 10385469
- Smiles Canonical
- CC(=O)C=CC12C(CC(CC1(O2)C)OC3C(C(C(C(O3)CO)O)O)O)(C)C
- Molecular Formula
- C19H30O8
- Molecular Weight
- 386.4410
- Inchikey
- RZPOXAOUEYNXNO-VLSJDARNSA-N
- Inchi
- InChI=1S/C19H30O8/c1-10(21)5-6-19-17(2,3)7-11(8-18(19,4)27-19)25-16-15(24)14(23)13(22)12(9-20)26-16/h5-6,11-16,20,22-24H,7-9H2,1-4H3/b6-5+/t11-,12+,13+,14-,15+,16+,18+,19-/m0/s1
- Isomeric Smiles
- CC(=O)/C=C/[C@]12[C@](O1)(C[C@H](CC2(C)C)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C
- Cas Id
- Ob Score
- Mol Logp
- -0.3356
- Num H Donors
- 4
- Num H Acceptors
- 8
- Num Rotatable Bonds
- 5
- Drug Likeness
- 0.3730
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Icariside B2
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Icariside B2
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Icariside b2
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Icariside b2
Role
preferred
Source
itcmdb_public
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
CHEMBL2392399
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL2392399
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 EpimediumCHEMBL2392399
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN029939
Npass
NPC167983
Tcmid
10943
Pub Chem
10385469
Tcmbank
TCMBANKIN041613
Etcm Ingredient
Icariside B2
Itcmdb Generated
ITX-INGREDIENT-EB14AB522183
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C19H30O8/c1-10(21)5-6-19-17(2,3)7-11(8-18(19,4)27-19)25-16-15(24)14(23)13(22)12(9-20)26-16/h5-6,11-16,20,22-24H,7-9H2,1-4H3/b6-5+/t11-,12+,13+,14-,15+,16+,18+,19-/m0/s1
Mol Wt
386.4410000000001
Mol Log P
-0.3355999999999999
In Ch Ikey
RZPOXAOUEYNXNO-VLSJDARNSA-N
Tcm Name
箭叶淫羊藿
Tcm Name2
JIAN YE YIN YANG HUO
Mol2 Path
/TCM_database/2007_3d_all/10944.mol2
Reference
660, 1521
Num Hdonors
4
Tcm Name En
Sagittate Epimedium
Drug Likeness
0.373
Num Hacceptors
8
Isomeric Smiles
CC(=O)/C=C/[C@]12[C@](O1)(C[C@H](CC2(C)C)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C
Canonical Smiles
CC(=O)C=CC12C(CC(CC1(O2)C)OC3C(C(C(C(O3)CO)O)O)O)(C)C
Herb Alias Names
CHEMBL2392399
Molecular Weight
384.210
Molecular Weight
386.4 g/mol
Molecular Formula
C20H32O7
Molecular Formula
C19H30O8
Num Rotatable Bonds
5
Fda Maximum Daily Dose (Fdamdd)
0.252
Quantitative Estimate Of Drug Likeness（Qed）
0.511