ITCMDBv1
IngredientID 2676

(2s)-2',4'-dihydroxy-2''-(1-hydroxy-1-methyl-ethyl)dihydrofuro[2,3-h]-flavanone

C20H20O6

Back to Browse

Relationship Network

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

Click a node to open it in a new tab
Herb: 1Ingredient: 1Target: 2Links: 4
Arranging relationship network...

Record Fields

Scalar fields from the final ingredient record.

Ingredient Id
2676
Core Entity Id
6163
Source Entity Count
1
Preferred Name
(2s)-2',4'-dihydroxy-2''-(1-hydroxy-1-methyl-ethyl)dihydrofuro[2,3-h]-flavanone
Name En
Pubchem Id
10291777
Smiles Canonical
CC(C)(C1CC2=C(O1)C=CC3=C2OC(CC3=O)C4=C(C=C(C=C4)O)O)O
Molecular Formula
C20H20O6
Molecular Weight
356.3740
Inchikey
JXVOAHGNNBAJCD-ZENAZSQFSA-N
Inchi
InChI=1S/C20H20O6/c1-20(2,24)18-8-13-16(25-18)6-5-12-15(23)9-17(26-19(12)13)11-4-3-10(21)7-14(11)22/h3-7,17-18,21-22,24H,8-9H2,1-2H3/t17-,18?/m0/s1
Isomeric Smiles
CC(C)(C1CC2=C(O1)C=CC3=C2O[C@@H](CC3=O)C4=C(C=C(C=C4)O)O)O
Cas Id
Ob Score
Mol Logp
2.8787
Num H Donors
3
Num H Acceptors
6
Num Rotatable Bonds
2
Drug Likeness
0.7660
Polar Surface Area
Molecular Volume
Alogp

Names

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

Name
"(2S)-2',4'-Dihydroxy-2""-(1-hydroxy-1-methylethyl)dihydrofuro[2,3-h]flavanone"
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
(2s)-2',4'-dihydroxy-2''-(1-hydroxy-1-methyl-ethyl)dihydrofuro[2,3-h]-flavanone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(2s)-2',4'-dihydroxy-2''-(1-hydroxy-1-methyl-ethyl)dihydrofuro[2,3-h]-flavanone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(2s)-2',4'-dihydroxy-2''-(1-hydroxy-1-methyl-ethyl)dihydrofuro[2,3-h]-flavanone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
(2S)-2'',4''-dihydroxy-2'' ''-(1-hydroxy-1-methylethyl)dihydrofuro[2,3-h]flavanone
Role
alias
Source
HERB_v2
Preferred
No
Name
(2S)-2'',4''-dihydroxy-2'' ''-(1-hydroxy-1-methylethyl)dihydrofuro[2,3-h]flavanone
Role
alias
Source
itcmdb_public
Preferred
No
Name
(2S)-2-(2,4-dihydroxyphenyl)-8-(2-hydroxypropan-2-yl)-2,3,8,9-tetrahydrofuro[2,3-h]chromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
(2S)-2-(2,4-dihydroxyphenyl)-8-(2-hydroxypropan-2-yl)-2,3,8,9-tetrahydrofuro[2,3-h]chromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
(2S)-2-(2,4-dihydroxyphenyl)-8-(2-hydroxypropan-2-yl)-2,3,8,9-tetrahydrouro[2,3-h]chromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
(2S)-2-(2,4-dihydroxyphenyl)-8-(2-hydroxypropan-2-yl)-2,3,8,9-tetrahydrouro[2,3-h]chromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
2',4'-Dihydroxy-2''-(1-hydroxy-1-methylethyl)dihydrofuro[2,3-h]flavanone
Role
alias
Source
HERB_v2
Preferred
No
Name
2',4'-Dihydroxy-2''-(1-hydroxy-1-methylethyl)dihydrofuro[2,3-h]flavanone
Role
alias
Source
itcmdb_public
Preferred
No
Name
BDBM50251002
Role
alias
Source
HERB_v2
Preferred
No
Name
BDBM50251002
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:186018
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:186018
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL457678
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL457678
Role
alias
Source
itcmdb_public
Preferred
No
Name
LMPK12140076
Role
alias
Source
itcmdb_public
Preferred
No
Name
LMPK12140076
Role
alias
Source
HERB_v2
Preferred
No

Aliases

Additional names normalized into the restored final schema.

"(2S)-2',4'-Dihydroxy-2""-(1-hydroxy-1-methylethyl)dihydrofuro[2,3-h]flavanone"(2S)-2'',4''-dihydroxy-2'' ''-(1-hydroxy-1-methylethyl)dihydrofuro[2,3-h]flavanone(2S)-2-(2,4-dihydroxyphenyl)-8-(2-hydroxypropan-2-yl)-2,3,8,9-tetrahydrofuro[2,3-h]chromen-4-one(2S)-2-(2,4-dihydroxyphenyl)-8-(2-hydroxypropan-2-yl)-2,3,8,9-tetrahydrouro[2,3-h]chromen-4-one2',4'-Dihydroxy-2''-(1-hydroxy-1-methylethyl)dihydrofuro[2,3-h]flavanoneBDBM50251002CHEBI:186018CHEMBL457678LMPK12140076

Cross References

Trusted external identifiers retained for this final record.

Herb
HBIN006583
Npass
NPC473996
Tcmid
5745
Pub Chem
10291777
Tcmbank
TCMBANKIN020233
Etcm Ingredient
"(2S)-2',4'-Dihydroxy-2""-(1-hydroxy-1-methylethyl)dihydrofuro[2,3-h]flavanone"
Itcmdb Generated
ITX-INGREDIENT-3C8C603C2B06

Attributes

Merged source attributes and domain-specific metadata.

In Ch I
InChI=1S/C20H20O6/c1-20(2,24)18-8-13-16(25-18)6-5-12-15(23)9-17(26-19(12)13)11-4-3-10(21)7-14(11)22/h3-7,17-18,21-22,24H,8-9H2,1-2H3/t17-,18?/m0/s1
Mol Wt
356.374
Smiles
CC(C)(C1CC2=C(O1)C=CC3=C2OC(CC3=O)C4=C(C=C(C=C4)O)O)O
Mol Log P
2.878700000000003
In Ch Ikey
JXVOAHGNNBAJCD-ZENAZSQFSA-N
Num Hdonors
3
Drug Likeness
0.766
Num Hacceptors
6
Isomeric Smiles
CC(C)(C1CC2=C(O1)C=CC3=C2O[C@@H](CC3=O)C4=C(C=C(C=C4)O)O)O
Canonical Smiles
CC(C)(C1CC2=C(O1)C=CC3=C2OC(CC3=O)C4=C(C=C(C=C4)O)O)O
Herb Alias Names
CHEMBL4576782',4'-Dihydroxy-2''-(1-hydroxy-1-methylethyl)dihydrofuro[2,3-h]flavanoneCHEBI:186018BDBM50251002LMPK12140076(2S)-2'',4''-dihydroxy-2'' ''-(1-hydroxy-1-methylethyl)dihydrofuro[2,3-h]flavanone(2S)-2-(2,4-dihydroxyphenyl)-8-(2-hydroxypropan-2-yl)-2,3,8,9-tetrahydrofuro[2,3-h]chromen-4-one(2S)-2-(2,4-dihydroxyphenyl)-8-(2-hydroxypropan-2-yl)-2,3,8,9-tetrahydrouro[2,3-h]chromen-4-one
Molecular Weight
356.130
Molecular Formula
C20H20O6
Molecular Formula
C20H20O6
Molecular Formula
C20H20O6
Num Rotatable Bonds
2
Fda Maximum Daily Dose (Fdamdd)
0.713
Quantitative Estimate Of Drug Likeness（Qed）
0.766