ITCMDBv1
IngredientID 24024

Kuwanon v

C40H38O8

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Relationship Network

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

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Herb: 2Ingredient: 1Target: 3Links: 5
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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id
24024
Core Entity Id
29888
Source Entity Count
1
Preferred Name
Kuwanon v
Name En
Pubchem Id
45485203
Smiles Canonical
CC1=CC(C(C(C1)C2=CC=C(C=C2)O)C(=O)C3=CC(=C(C(=C3)O)CC=C(C)C)O)C4=C(C=CC(=C4O)C(=O)C=CC5=CC=C(C=C5)O)O
Molecular Formula
C40H38O8
Molecular Weight
646.7360
Inchikey
MYKDNKGHXHALEF-SJIVMEQQSA-N
Inchi
InChI=1S/C40H38O8/c1-22(2)4-14-29-35(45)20-26(21-36(29)46)39(47)37-31(25-8-12-28(42)13-9-25)18-23(3)19-32(37)38-34(44)17-15-30(40(38)48)33(43)16-7-24-5-10-27(41)11-6-24/h4-13,15-17,19-21,31-32,37,41-42,44-46,48H,14,18H2,1-3H3/b16-7+/t31-,32+,37-/m1/s1
Isomeric Smiles
CC1=C[C@@H]([C@@H]([C@H](C1)C2=CC=C(C=C2)O)C(=O)C3=CC(=C(C(=C3)O)CC=C(C)C)O)C4=C(C=CC(=C4O)C(=O)/C=C/C5=CC=C(C=C5)O)O
Cas Id
89803-84-9
Ob Score
2.9417
Mol Logp
8.0415
Num H Donors
6
Num H Acceptors
8
Num Rotatable Bonds
9
Drug Likeness
0.0610
Polar Surface Area
Molecular Volume
Alogp

Names

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

Name
Kuwanon V
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Kuwanon v
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Kuwanon v
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
kuwanon V
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
kuwanon V
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(E)-1-(3-((1S,5S,6R)-6-(3,5-dihydroxy-4-(3-methylbut-2-enyl)benzoyl)-5-(4-hydroxyphenyl)-3-methylcyclohex-2-en-1-yl)-2,4-dihydroxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one
Role
alias
Source
HERB_v2
Preferred
No
Name
(E)-1-(3-((1S,5S,6R)-6-(3,5-dihydroxy-4-(3-methylbut-2-enyl)benzoyl)-5-(4-hydroxyphenyl)-3-methylcyclohex-2-en-1-yl)-2,4-dihydroxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
(e)-2',4,4'-Trihydroxy-3'-(3-methyl-5I+--(4-hydroxyphenyl)-6I2-(2,4-dihydroxy-3-(3-methyl-2-butenyl)benzoyl)-2-cyclohexene-1I2-yl)chalcone
Role
alias
Source
itcmdb_public
Preferred
No
Name
(e)-2',4,4'-Trihydroxy-3'-(3-methyl-5I+--(4-hydroxyphenyl)-6I2-(2,4-dihydroxy-3-(3-methyl-2-butenyl)benzoyl)-2-cyclohexene-1I2-yl)chalcone
Role
alias
Source
HERB_v2
Preferred
No
Name
(e)-2',4,4'-Trihydroxy-3'-(3-methyl-5a-(4-hydroxyphenyl)-6b-(2,4-dihydroxy-3-(3-methyl-2-butenyl)benzoyl)-2-cyclohexene-1b-yl)chalcone
Role
alias
Source
HERB_v2
Preferred
No
Name
(e)-2',4,4'-Trihydroxy-3'-[3-methyl-5a-(4-hydroxyphenyl)-6b-[2,4-dihydroxy-3-(3-methyl-2-butenyl)benzoyl]-2-cyclohexene-1b-yl]chalcone
Role
alias
Source
itcmdb_public
Preferred
No
Name
BDBM50303003
Role
alias
Source
itcmdb_public
Preferred
No
Name
BDBM50303003
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL570609
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL570609
Role
alias
Source
HERB_v2
Preferred
No
Name
kuwanon v
Role
alias
Source
TCMBank
Preferred
No

Aliases

Additional names normalized into the restored final schema.

(E)-1-(3-((1S,5S,6R)-6-(3,5-dihydroxy-4-(3-methylbut-2-enyl)benzoyl)-5-(4-hydroxyphenyl)-3-methylcyclohex-2-en-1-yl)-2,4-dihydroxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one(e)-2',4,4'-Trihydroxy-3'-(3-methyl-5I+--(4-hydroxyphenyl)-6I2-(2,4-dihydroxy-3-(3-methyl-2-butenyl)benzoyl)-2-cyclohexene-1I2-yl)chalcone(e)-2',4,4'-Trihydroxy-3'-(3-methyl-5a-(4-hydroxyphenyl)-6b-(2,4-dihydroxy-3-(3-methyl-2-butenyl)benzoyl)-2-cyclohexene-1b-yl)chalcone(e)-2',4,4'-Trihydroxy-3'-[3-methyl-5a-(4-hydroxyphenyl)-6b-[2,4-dihydroxy-3-(3-methyl-2-butenyl)benzoyl]-2-cyclohexene-1b-yl]chalconeBDBM50303003CHEMBL570609

Cross References

Trusted external identifiers retained for this final record.

Cas
89803-84-9
Herb
HBIN032441
Npass
NPC85393
Tcmid
38363
Tcmsp
MOL012708
Sym Map
SMIT13442
Tcm Id
3103
Pub Chem
45485203
Tcmbank
TCMBANKIN009830
Etcm Ingredient
kuwanon V
Itcmdb Generated
ITX-INGREDIENT-12CE18C6FD82

Attributes

Merged source attributes and domain-specific metadata.

Type
Other ingredients
In Ch I
InChI=1S/C40H38O8/c1-22(2)4-14-29-35(45)20-26(21-36(29)46)39(47)37-31(25-8-12-28(42)13-9-25)18-23(3)19-32(37)38-34(44)17-15-30(40(38)48)33(43)16-7-24-5-10-27(41)11-6-24/h4-13,15-17,19-21,31-32,37,41-42,44-46,48H,14,18H2,1-3H3/b16-7+/t31-,32+,37-/m1/s1
Mol Wt
646.7360000000004
Cas Id
89803-84-9
Mol Log P
8.041500000000006
Version
v1,v2
In Ch Ikey
MYKDNKGHXHALEF-SJIVMEQQSA-N
Ob Score
2.941652.9416500092.942
Suppress
0
Num Hdonors
6
Drug Likeness
0.061
Num Hacceptors
8
Isomeric Smiles
CC1=C[C@@H]([C@@H]([C@H](C1)C2=CC=C(C=C2)O)C(=O)C3=CC(=C(C(=C3)O)CC=C(C)C)O)C4=C(C=CC(=C4O)C(=O)/C=C/C5=CC=C(C=C5)O)O
Molecule Weight
646.78
Canonical Smiles
CC1=CC(C(C(C1)C2=CC=C(C=C2)O)C(=O)C3=CC(=C(C(=C3)O)CC=C(C)C)O)C4=C(C=CC(=C4O)C(=O)C=CC5=CC=C(C=C5)O)O
Herb Alias Names
CHEMBL570609(E)-1-(3-((1S,5S,6R)-6-(3,5-dihydroxy-4-(3-methylbut-2-enyl)benzoyl)-5-(4-hydroxyphenyl)-3-methylcyclohex-2-en-1-yl)-2,4-dihydroxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one(E)-1-[3-[(1S,5S,6R)-6-[3,5-dihydroxy-4-(3-methylbut-2-enyl)benzoyl]-5-(4-hydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-2,4-dihydroxyphenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one(e)-2',4,4'-Trihydroxy-3'-(3-methyl-5a-(4-hydroxyphenyl)-6b-(2,4-dihydroxy-3-(3-methyl-2-butenyl)benzoyl)-2-cyclohexene-1b-yl)chalcone(e)-2',4,4'-Trihydroxy-3'-(3-methyl-5I+--(4-hydroxyphenyl)-6I2-(2,4-dihydroxy-3-(3-methyl-2-butenyl)benzoyl)-2-cyclohexene-1I2-yl)chalcone(e)-2',4,4'-Trihydroxy-3'-[3-methyl-5a-(4-hydroxyphenyl)-6b-[2,4-dihydroxy-3-(3-methyl-2-butenyl)benzoyl]-2-cyclohexene-1b-yl]chalcone(e)-2',4,4'-Trihydroxy-3'-[3-methyl-5I+--(4-hydroxyphenyl)-6I2-[2,4-dihydroxy-3-(3-methyl-2-butenyl)benzoyl]-2-cyclohexene-1I2-yl]chalconeBDBM50303003
Molecular Weight
646.260
Molecular Weight
646.72
Molecular Formula
C40H38O8
Molecular Formula
C40H38O8
Molecular Formula
C40H38O8
Num Rotatable Bonds
9
Fda Maximum Daily Dose (Fdamdd)
0.926
Quantitative Estimate Of Drug Likeness（Qed）
0.061