ITCMDBv1
IngredientID 2516

(2r,3r)-3,5-dihydroxy-2-(4-hydroxyphenyl)-7-methoxychroman-4-one

C16H14O6

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: 8Ingredient: 1Target: 5Links: 18
Arranging relationship network...

Record Fields

Scalar fields from the final ingredient record.

Ingredient Id
2516
Core Entity Id
5984
Source Entity Count
1
Preferred Name
(2r,3r)-3,5-dihydroxy-2-(4-hydroxyphenyl)-7-methoxychroman-4-one
Name En
Pubchem Id
181132
Smiles Canonical
COC1=CC(=C2C(=C1)OC(C(C2=O)O)C3=CC=C(C=C3)O)O
Molecular Formula
C16H14O6
Molecular Weight
302.2820
Inchikey
LZLGHWHSUZVUFZ-JKSUJKDBSA-N
Inchi
InChI=1S/C16H14O6/c1-21-10-6-11(18)13-12(7-10)22-16(15(20)14(13)19)8-2-4-9(17)5-3-8/h2-7,15-18,20H,1H3/t15-,16+/m0/s1
Isomeric Smiles
COC1=CC(=C2C(=C1)O[C@@H]([C@H](C2=O)O)C3=CC=C(C=C3)O)O
Cas Id
37971-69-0
Ob Score
24.8428
Mol Logp
1.7837
Num H Donors
3
Num H Acceptors
6
Num Rotatable Bonds
2
Drug Likeness
0.7820
Polar Surface Area
Molecular Volume
Alogp

Names

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

Name
(2R,3R)-3,5-Dihydroxy-2-(4-Hydroxyphenyl)-7-Methoxychroman-4-One
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
(2R,3R)-3,5-dihydroxy-2-(4-hydroxyphenyl)-7-methoxychroman-4-one
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
(2r,3r)-3,5-dihydroxy-2-(4-hydroxyphenyl)-7-methoxychroman-4-one
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
(2r,3r)-3,5-dihydroxy-2-(4-hydroxyphenyl)-7-methoxychroman-4-one
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(2R,3R)-3,5-dihydroxy-2-(4-hydroxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
(2R,3R)-3,5-dihydroxy-2-(4-hydroxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
(2R,3R)-7-METHOXY-3,5,4'-TRIHYDROXYFLAVONE
Role
alias
Source
HERB_v2
Preferred
No
Name
(2R,3R)-7-METHOXY-3,5,4'-TRIHYDROXYFLAVONE
Role
alias
Source
itcmdb_public
Preferred
No
Name
2N3G2R82MX
Role
alias
Source
HERB_v2
Preferred
No
Name
2N3G2R82MX
Role
alias
Source
itcmdb_public
Preferred
No
Name
3,4',5-Trihydroxy-7-methoxyflavanone
Role
alias
Source
HERB_v2
Preferred
No
Name
3,4',5-Trihydroxy-7-methoxyflavanone
Role
alias
Source
itcmdb_public
Preferred
No
Name
3,5-DIHYDROXY-2-(4-HYDROXYPHENYL)-7-METHOXYCHROMAN-4-ONE
Role
alias
Source
HERB_v2
Preferred
No
Name
3,5-DIHYDROXY-2-(4-HYDROXYPHENYL)-7-METHOXYCHROMAN-4-ONE
Role
alias
Source
itcmdb_public
Preferred
No
Name
37971-69-0
Role
alias
Source
HERB_v2
Preferred
No
Name
37971-69-0
Role
alias
Source
itcmdb_public
Preferred
No
Name
7-Methylaromadendrin
Role
alias
Source
HERB_v2
Preferred
No
Name
7-Methylaromadendrin
Role
alias
Source
itcmdb_public
Preferred
No
Name
7-O-Methylaromadendrin
Role
alias
Source
HERB_v2
Preferred
No
Name
7-O-Methylaromadendrin
Role
alias
Source
itcmdb_public
Preferred
No
Name
AROMADENDRIN 7-O-METHYL ETHER
Role
alias
Source
HERB_v2
Preferred
No
Name
AROMADENDRIN 7-O-METHYL ETHER
Role
alias
Source
itcmdb_public
Preferred
No
Name
Aromadendrin 7-methyl ether
Role
alias
Source
HERB_v2
Preferred
No
Name
Aromadendrin 7-methyl ether
Role
alias
Source
itcmdb_public
Preferred
No

Aliases

Additional names normalized into the restored final schema.

(2R,3R)-3,5-dihydroxy-2-(4-hydroxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one(2R,3R)-7-METHOXY-3,5,4'-TRIHYDROXYFLAVONE2N3G2R82MX3,4',5-Trihydroxy-7-methoxyflavanone3,5-DIHYDROXY-2-(4-HYDROXYPHENYL)-7-METHOXYCHROMAN-4-ONE37971-69-07-Methylaromadendrin7-O-MethylaromadendrinAROMADENDRIN 7-O-METHYL ETHERAromadendrin 7-methyl ether

Cross References

Trusted external identifiers retained for this final record.

Cas
37971-69-0
Herb
HBIN006401
Npass
NPC176869
Tcmid
14139
Tcmsp
MOL008042
Sym Map
SMIT09377
Pub Chem
181132
Etcm Ingredient
(2R,3R)-3,5-dihydroxy-2-(4-hydroxyphenyl)-7-methoxychroman-4-one
Itcmdb Generated
ITX-INGREDIENT-085216829860

Attributes

Merged source attributes and domain-specific metadata.

Type
Other ingredients
In Ch I
InChI=1S/C16H14O6/c1-21-10-6-11(18)13-12(7-10)22-16(15(20)14(13)19)8-2-4-9(17)5-3-8/h2-7,15-18,20H,1H3/t15-,16+/m0/s1
Mol Wt
302.282
Cas Id
37971-69-0
Mol Log P
1.783700000000001
Version
v1,v2
In Ch Ikey
LZLGHWHSUZVUFZ-JKSUJKDBSA-N
Ob Score
24.8427689424.843
Suppress
0
Num Hdonors
3
Drug Likeness
0.782
Num Hacceptors
6
Isomeric Smiles
COC1=CC(=C2C(=C1)O[C@@H]([C@H](C2=O)O)C3=CC=C(C=C3)O)O
Molecule Weight
302.3
Canonical Smiles
COC1=CC(=C2C(=C1)OC(C(C2=O)O)C3=CC=C(C=C3)O)O
Herb Alias Names
37971-69-03,4',5-Trihydroxy-7-methoxyflavanoneAromadendrin 7-methyl ether7-O-Methylaromadendrin7-MethylaromadendrinAROMADENDRIN 7-O-METHYL ETHER2N3G2R82MX(2R,3R)-3,5-dihydroxy-2-(4-hydroxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one(2R,3R)-7-METHOXY-3,5,4'-TRIHYDROXYFLAVONE3,5-DIHYDROXY-2-(4-HYDROXYPHENYL)-7-METHOXYCHROMAN-4-ONE
Molecular Weight
302.080
Molecular Formula
C16H14O6
Molecular Formula
C16H14O6
Num Rotatable Bonds
2
Fda Maximum Daily Dose (Fdamdd)
0.616
Quantitative Estimate Of Drug Likeness（Qed）
0.783