ITCMDBv1
IngredientID 22021

Ikarisoside a

C26H28O10

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Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.

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Herb: 8Ingredient: 1Target: 12Links: 20
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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id
22021
Core Entity Id
27661
Source Entity Count
1
Preferred Name
Ikarisoside a
Name En
Pubchem Id
5481982
Smiles Canonical
CC1C(C(C(C(O1)OC2=C(OC3=C(C(=CC(=C3C2=O)O)O)CC=C(C)C)C4=CC=C(C=C4)O)O)O)O
Molecular Formula
C26H28O10
Molecular Weight
500.5000
Inchikey
RPLMLWBOUPDPQF-GULSFEPBSA-N
Inchi
InChI=1S/C26H28O10/c1-11(2)4-9-15-16(28)10-17(29)18-20(31)25(36-26-22(33)21(32)19(30)12(3)34-26)23(35-24(15)18)13-5-7-14(27)8-6-13/h4-8,10,12,19,21-22,26-30,32-33H,9H2,1-3H3/t12-,19-,21+,22+,26-/m0/s1
Isomeric Smiles
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(OC3=C(C(=CC(=C3C2=O)O)O)CC=C(C)C)C4=CC=C(C=C4)O)O)O)O
Cas Id
55395-07-8
Ob Score
4.7506
Mol Logp
2.2918
Num H Donors
6
Num H Acceptors
10
Num Rotatable Bonds
5
Drug Likeness
0.2860
Polar Surface Area
166.0000
Molecular Volume
317.0000
Alogp
3.0000

Names

Preferred names, aliases, and source labels retained in the final schema.

Name
4H-1-Benzopyran-4-One, 3-((6-Deoxy-Alpha-L-Mennopyranosyl)Oxy)-5,7-Dihydroxy-2-(4-Hydroxyphenyl)-8-(3-Methyl-2-Butenyl)-
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Baohuoside Ii
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
4H-1-Benzopyran-4-One, 3-((6-Deoxy-Alpha-L-Mennopyranosyl)Oxy)-5,7-Dihydroxy-2-(4-Hydroxyphenyl)-8-(3-Methyl-2-Butenyl)-
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
4H-1-Benzopyran-4-one, 3-((6-deoxy-alpha-L-mennopyranosyl)oxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methyl-2-butenyl)-
Role
preferred
Source
TCMBank
Preferred
Yes
Name
4h-1-benzopyran-4-one,3-((6-deoxy-alpha-l-mennopyranosyl)oxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methyl-2-butenyl)-
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
4h-1-benzopyran-4-one,3-((6-deoxy-alpha-l-mennopyranosyl)oxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methyl-2-butenyl)-
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Baohuoside II
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Baohuoside Ii
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Baohuoside ii
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Baohuoside ii
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Ikarisoside A
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Ikarisoside A
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Ikarisoside a
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Ikarisoside a
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
baohuoside II
Role
preferred
Source
TCMBank
Preferred
Yes
Name
朝鲜淫羊藿;淫羊藿;川滇淫羊藿;粗毛淫羊藿;箭叶淫羊藿;柔毛淫羊藿;朝鲜淫羊藿;川滇淫羊藿
Role
TCM_name
Source
TCMBank
Preferred
No
Name
淫羊藿; 粗毛淫羊藿
Role
TCM_name
Source
TCMBank
Preferred
No
Name
CHAO XIAN YIN YANG HUO;YIN YANG HUO;CHUAN DIAN YIN YANG HUO;CU CAO YIN YANG HUO;CU MAO YIN YANG HUO;JIAN YE YIN YANG HUO;ROU MAO YIN YANG HUO;CHAO XIAN YIN YANG HUO;CHUAN DIAN YIN YANG HUO
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
YIN YANG HUO; CU MAO YIN YANG HUO
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Korean Epimedium ;Shorthorned Epimedium;David Epimedium;Acuminatum Epimedium;Sagittate Epimedium;Pubescence Epimedium;Korean Epimedium;David Epimedium
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
Shorthorned Epimedium; Acuminatum Epimedium
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
4H-1-Benzopyran-4-one, 3-((6-deoxy-alpha-L-mennopyranosyl)oxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methyl-2-butenyl)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
4H-1-Benzopyran-4-one, 3-((6-deoxy-alpha-L-mennopyranosyl)oxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methyl-2-butenyl)-
Role
alias
Source
HERB_v2
Preferred
No
Name
5,7-Dihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-en-1-yl)-3-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-4H-chromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
5,7-Dihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-en-1-yl)-3-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-4H-chromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
5,7-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
5,7-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
55395-07-8
Role
alias
Source
HERB_v2
Preferred
No
Name
55395-07-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
BDBM78941
Role
alias
Source
HERB_v2
Preferred
No
Name
BDBM78941
Role
alias
Source
itcmdb_public
Preferred
No
Name
Baohuoside II
Role
alias
Source
itcmdb_public
Preferred
No
Name
Baohuoside II
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL1728934
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL1728934
Role
alias
Source
HERB_v2
Preferred
No
Name
Ikarisoside A
Role
alias
Source
itcmdb_public
Preferred
No
Name
Ikarisoside A
Role
alias
Source
HERB_v2
Preferred
No
Name
MLS000697625
Role
alias
Source
itcmdb_public
Preferred
No
Name
MLS000697625
Role
alias
Source
HERB_v2
Preferred
No
Name
SMR000470956
Role
alias
Source
itcmdb_public
Preferred
No
Name
SMR000470956
Role
alias
Source
HERB_v2
Preferred
No

Aliases

Additional names normalized into the restored final schema.

4H-1-Benzopyran-4-One, 3-((6-Deoxy-Alpha-L-Mennopyranosyl)Oxy)-5,7-Dihydroxy-2-(4-Hydroxyphenyl)-8-(3-Methyl-2-Butenyl)-Baohuoside Ii4h-1-benzopyran-4-one,3-((6-deoxy-alpha-l-mennopyranosyl)oxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methyl-2-butenyl)-朝鲜淫羊藿;淫羊藿;川滇淫羊藿;粗毛淫羊藿;箭叶淫羊藿;柔毛淫羊藿;朝鲜淫羊藿;川滇淫羊藿淫羊藿; 粗毛淫羊藿CHAO XIAN YIN YANG HUO;YIN YANG HUO;CHUAN DIAN YIN YANG HUO;CU CAO YIN YANG HUO;CU MAO YIN YANG HUO;JIAN YE YIN YANG HUO;ROU MAO YIN YANG HUO;CHAO XIAN YIN YANG HUO;CHUAN DIAN YIN YANG HUOYIN YANG HUO; CU MAO YIN YANG HUOKorean Epimedium ;Shorthorned Epimedium;David Epimedium;Acuminatum Epimedium;Sagittate Epimedium;Pubescence Epimedium;Korean Epimedium;David EpimediumShorthorned Epimedium; Acuminatum Epimedium5,7-Dihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-en-1-yl)-3-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-4H-chromen-4-one5,7-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one55395-07-8BDBM78941CHEMBL1728934MLS000697625SMR000470956

Cross References

Trusted external identifiers retained for this final record.

Cas
55395-07-8
Herb
HBIN010408HBIN017578HBIN029988
Npass
NPC141768NPC218110NPC66087
Tcmid
213931302
Tcmsp
MOL004432
Sym Map
SMIT06356SMIT22511
Pub Chem
5481982
Tcmbank
TCMBANKIN027984TCMBANKIN055206TCMBANKIN056176TCMBANKIN060153
Etcm Ingredient
Baohuoside IIIkarisoside A
Itcmdb Generated
ITX-INGREDIENT-157036B6F7B0ITX-INGREDIENT-2F19625C5992ITX-INGREDIENT-3B58CC26560EITX-INGREDIENT-4B90BEDC005FITX-INGREDIENT-62E634F2371CITX-INGREDIENT-D6FAB8764BBF

Attributes

Merged source attributes and domain-specific metadata.

Type
Other ingredients
Alog P
3
In Ch I
InChI=1S/C26H28O10/c1-11(2)4-9-15-16(28)10-17(29)18-20(31)25(36-26-22(33)21(32)19(30)12(3)34-26)23(35-24(15)18)13-5-7-14(27)8-6-13/h4-8,10,12,19,21-22,26-30,32-33H,9H2,1-3H3/t12-,19-,21+,22+,26-/m0/s1
Mol Wt
500.5000000000002
Cas Id
55395-07-8
Smiles
CC1C(C(C(C(O1)OC2=C(OC3=C(C(=CC(=C3C2=O)O)O)CC=C(C)C)C4=CC=C(C=C4)O)O)O)Oc1(O[H])c(C([H])([H])\C([H])=C(/C([H])([H])[H])\C([H])([H])[H])c(OC(c2c([H])c([H])c(O[H])c([H])c2[H])=C(O[C@@]3([H])O[C@]([H])(C([H])([H])[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@]3([H])O[H])C4=O)c4c(O[H ])c1[H]c1(O[H])c(C([H])([H])\C([H])=C(/C([H])([H])[H])\C([H])([H])[H])c(OC(c2c([H])c([H])c(O[H])c([H])c2[H])=C(O[C@]([H])(O[C@@]([H])(C([H])([H])[H])[C@]3([H])O[H])[C@]([H])(O[H])[C@]3([H])O[H])C4=O)c4c(O[H] )c1[H]c1([H])c([H])c([C@]2([H])Oc(c(C([H])([H])\C([H])=C(/C([H])([H])[H])\C([H])([H])[H])c(O[H])c([H])c3O[H])c3C(=O)[C@@]2([H])O[C@@]4([H])O[C@@](C([H])([H])[H])([H])[C@@](O[H])([H])[C@@](O[H])([H])[C@@]4(O [H])[H])c([H])c([H])c1O[H]
37 Flag
37
C Count
26
Mol Log P
2.291800000000002
N Count
0
O Count
10
P Count
0
S Count
0
Version
v1,v2v2
In Ch Ikey
RPLMLWBOUPDPQF-GULSFEPBSA-N
Ob Score
4.7506167974.7506174.751
Suppress
0
Tcm Name
朝鲜淫羊藿;淫羊藿;川滇淫羊藿;粗毛淫羊藿;箭叶淫羊藿;柔毛淫羊藿;朝鲜淫羊藿;川滇淫羊藿淫羊藿淫羊藿; 粗毛淫羊藿
Tcm Name2
CHAO XIAN YIN YANG HUO;YIN YANG HUO;CHUAN DIAN YIN YANG HUO;CU CAO YIN YANG HUO;CU MAO YIN YANG HUO;JIAN YE YIN YANG HUO;ROU MAO YIN YANG HUO;CHAO XIAN YIN YANG HUO;CHUAN DIAN YIN YANG HUOEpimedium brevicornumYIN YANG HUO; CU MAO YIN YANG HUO
Mol2 Path
/TCM_database/13.补虚药(60-62)/2.补阳药(22-23)/淫羊藿/Epimedium brevicornum/structure/baohuoside II.mol2/TCM_database/2003_3d_all/4246.mol2/TCM_database/2003_3d_all/794.mol2
Reference
112, 514, 565, 6602599
Num Hdonors
6
Tcm Name En
Epimedium HerbKorean Epimedium ;Shorthorned Epimedium;David Epimedium;Acuminatum Epimedium;Sagittate Epimedium;Pubescence Epimedium;Korean Epimedium;David EpimediumShorthorned Epimedium; Acuminatum Epimedium
Level1 Name
13.补虚药(60-62)
Level2 Name
2.补阳药(22-23)
Num H Donors
6
Drug Likeness
0.286
Num Hacceptors
10
Level1 Name En
tonifying and replenishing medicinal
Level2 Name En
yang-tonifying medicinal
Isomeric Smiles
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(OC3=C(C(=CC(=C3C2=O)O)O)CC=C(C)C)C4=CC=C(C=C4)O)O)O)O
Molecule Weight
500.54
Num H Acceptors
10
Canonical Smiles
CC1C(C(C(C(O1)OC2=C(OC3=C(C(=CC(=C3C2=O)O)O)CC=C(C)C)C4=CC=C(C=C4)O)O)O)O
Herb Alias Names
Baohuoside IIIkarisoside A55395-07-85,7-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-oneMLS000697625SMR0004709564H-1-Benzopyran-4-one, 3-((6-deoxy-alpha-L-mennopyranosyl)oxy)-5,7-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methyl-2-butenyl)-5,7-Dihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-en-1-yl)-3-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-4H-chromen-4-oneCHEMBL1728934BDBM78941
Molecular Weight
500.170
Molecular Volume
317
Molecular Weight
500.49503
Molecular Formula
C26H28O10
Molecular Formula
C26H28O10C26H30O10
Molecular Formula
C26H28O10
Num Rotatable Bonds
5
Num Rotatable Bonds
5
Molecular Polar Surface Area
166
Fda Maximum Daily Dose (Fdamdd)
0.0110.020
Quantitative Estimate Of Drug Likeness（Qed）
0.286