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
- 21966
- Core Entity Id
- 27601
- Source Entity Count
- 1
- Preferred Name
- Icariside a1
- Name En
- Pubchem Id
- 15690608
- Smiles Canonical
- COC1=C(C(=C2C(=C1)CCC3=CC(=C(C=C32)OC)OC4C(C(C(C(O4)CO)O)O)O)OC)OC
- Molecular Formula
- C24H30O10
- Molecular Weight
- 478.4940
- Inchikey
- VWJUIKAXHJNYMV-UKMCQSRUSA-N
- Inchi
- InChI=1S/C24H30O10/c1-29-14-9-13-11(5-6-12-8-16(30-2)22(31-3)23(32-4)18(12)13)7-15(14)33-24-21(28)20(27)19(26)17(10-25)34-24/h7-9,17,19-21,24-28H,5-6,10H2,1-4H3/t17-,19-,20+,21-,24-/m1/s1
- Isomeric Smiles
- COC1=C(C(=C2C(=C1)CCC3=CC(=C(C=C32)OC)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)OC)OC
- Cas Id
- 108906-52-1
- Ob Score
- Mol Logp
- 0.6653
- Num H Donors
- 4
- Num H Acceptors
- 10
- Num Rotatable Bonds
- 7
- Drug Likeness
- 0.4490
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Icariside A1
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Icariside A1
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Icariside a1
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Icariside a1
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
Aliases
Additional names normalized into the restored final schema.
箭叶淫羊藿JIAN YE YIN YANG HUOSagittate Epimedium
Cross References
Trusted external identifiers retained for this final record.
Cas
108906-52-1
Herb
HBIN029930
Npass
NPC304870
Tcmid
10940
Tcm Id
3595
Pub Chem
15690608
Tcmbank
TCMBANKIN048716
Etcm Ingredient
Icariside A1
Itcmdb Generated
ITX-INGREDIENT-1C7E219DD7DD
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C24H30O10/c1-29-14-9-13-11(5-6-12-8-16(30-2)22(31-3)23(32-4)18(12)13)7-15(14)33-24-21(28)20(27)19(26)17(10-25)34-24/h7-9,17,19-21,24-28H,5-6,10H2,1-4H3/t17-,19-,20+,21-,24-/m1/s1
Mol Wt
478.4940000000001
Cas Id
108906-52-1
Mol Log P
0.6652999999999996
In Ch Ikey
VWJUIKAXHJNYMV-UKMCQSRUSA-N
Tcm Name
箭叶淫羊藿
Tcm Name2
JIAN YE YIN YANG HUO
Mol2 Path
/TCM_database/2007_3d_all/10941.mol2
Reference
660
Num Hdonors
4
Tcm Name En
Sagittate Epimedium
Drug Likeness
0.449
Num Hacceptors
10
Isomeric Smiles
COC1=C(C(=C2C(=C1)CCC3=CC(=C(C=C32)OC)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)OC)OC
Canonical Smiles
COC1=C(C(=C2C(=C1)CCC3=CC(=C(C=C32)OC)OC4C(C(C(C(O4)CO)O)O)O)OC)OC
Molecular Weight
478.180
Molecular Weight
478.49
Molecular Formula
C24H30O10
Molecular Formula
C24H30O10
Num Rotatable Bonds
7
Fda Maximum Daily Dose (Fdamdd)
0.073
Quantitative Estimate Of Drug Likeness（Qed）
0.449