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: 12Ingredient: 1Reference: 12Target: 12Links: 36
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 3095
- Core Entity Id
- 6628
- Source Entity Count
- 1
- Preferred Name
- Myricetin
- Name En
- Pubchem Id
- 5281672
- Smiles Canonical
- O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12
- Molecular Formula
- C15H10O8
- Molecular Weight
- 318.2370
- Inchikey
- IKMDFBPHZNJCSN-UHFFFAOYSA-N
- Inchi
- InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H
- Isomeric Smiles
- C1=C(C=C(C(=C1O)O)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O
- Cas Id
- Ob Score
- 13.7480
- Mol Logp
- 1.6936
- Num H Donors
- 6
- Num H Acceptors
- 8
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.3710
- Polar Surface Area
- 147.6800
- Molecular Volume
- 218.8300
- Alogp
- 1.3880
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Myricetin
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
3,3',4',5,5',7-Hexahydroxyflavone
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
3,3',4',5,5',7-hexahydroxyflavone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
3,3',4',5,5',7-hexahydroxyflavone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Myricetin
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Myricetin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Myricetin
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Myricetin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
myricetin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
沙棘
Role
TCM_name
Source
TCMBank
Preferred
No
Name
百花映山红
Role
TCM_name
Source
TCMBank
Preferred
No
Name
益母草
Role
TCM_name
Source
TCMBank
Preferred
No
Name
YI MU CAO
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
sea-buckthorn
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
2-(3,4,5-TRIHYDROXYPHENYL)-3,5,7-TRIHYDROXY-4H-1-BENZOPYRAN-4-ONE
Role
alias
Source
TCMBank
Preferred
No
Name
2o63
Role
alias
Source
TCMBank
Preferred
No
Name
3,3',4',5,5',7-Hexahydroxyflavone
Role
alias
Source
HERB_v2
Preferred
No
Name
3,3',4',5,5',7-Hexahydroxyflavone
Role
alias
Source
itcmdb_public
Preferred
No
Name
3,3',4',5,5',7-hexahydroxy-(8CI)- flavone
Role
alias
Source
TCMBank
Preferred
No
Name
3,3',4,4',5',7-Hexahydro-2-phenyl-4H-chromen-4-one
Role
alias
Source
TCMBank
Preferred
No
Name
3,3'4'5,5'7-hexOH-Flavone
Role
alias
Source
TCMBank
Preferred
No
Name
3,3′,4′,5,5′,7-Hexahydroxyflavone
Role
alias
Source
TCMBank
Preferred
No
Name
3,5,7,3',4',5'-Hexahydroxyflavone
Role
alias
Source
HERB_v2
Preferred
No
Name
3,5,7,3',4',5'-Hexahydroxyflavone
Role
alias
Source
TCMBank
Preferred
No
Name
3,5,7,3',4',5'-Hexahydroxyflavone
Role
alias
Source
itcmdb_public
Preferred
No
Name
3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-4H-CHROMEN-4-ONE
Role
alias
Source
TCMBank
Preferred
No
Name
3,5,7-Trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-1-benzopyran-4-one
Role
alias
Source
TCMBank
Preferred
No
Name
3,5,7-Trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
3,5,7-Trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-1-benzopyran-4-one
Role
alias
Source
TCMBank
Preferred
No
Name
3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4-chromenone
Role
alias
Source
TCMBank
Preferred
No
Name
3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one
Role
alias
Source
TCMBank
Preferred
No
Name
3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)chromone
Role
alias
Source
TCMBank
Preferred
No
Name
3,5,7-tris(oxidanyl)-2-[3,4,5-tris(oxidanyl)phenyl]chromen-4-one
Role
alias
Source
TCMBank
Preferred
No
Name
3,7,3',4',5'-Hexahydroxyflavone
Role
alias
Source
TCMBank
Preferred
No
Name
4CN-1085
Role
alias
Source
TCMBank
Preferred
No
Name
4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-
Role
alias
Source
TCMBank
Preferred
No
Name
4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)- (9CI)
Role
alias
Source
TCMBank
Preferred
No
Name
4H-1-Benzopyran-4-one,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-
Role
alias
Source
TCMBank
Preferred
No
Name
4gqr
Role
alias
Source
TCMBank
Preferred
No
Name
5,7-dihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)-4H-chromen-3-olate
Role
alias
Source
SymMap_v2
Preferred
No
Name
5,7-dihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)-4H-chromen-3-olate
Role
alias
Source
TCMBank
Preferred
No
Name
5-18-05-00670 (Beilstein Handbook Reference)
Role
alias
Source
TCMBank
Preferred
No
Name
529-44-2
Role
alias
Source
itcmdb_public
Preferred
No
Name
529-44-2
Role
alias
Source
TCMBank
Preferred
No
Name
529-44-2
Role
alias
Source
HERB_v2
Preferred
No
Name
529M442
Role
alias
Source
TCMBank
Preferred
No
Name
70050_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
76XC01FTOJ
Role
alias
Source
TCMBank
Preferred
No
Name
A829320
Role
alias
Source
TCMBank
Preferred
No
Name
AB0149714
Role
alias
Source
TCMBank
Preferred
No
Name
AC-4533
Role
alias
Source
TCMBank
Preferred
No
Name
AC1NQYV4
Role
alias
Source
TCMBank
Preferred
No
Name
ACon1_000267
Role
alias
Source
TCMBank
Preferred
No
Name
AIDS-001411
Role
alias
Source
TCMBank
Preferred
No
Name
AJ-46397
Role
alias
Source
TCMBank
Preferred
No
Name
AK111247
Role
alias
Source
TCMBank
Preferred
No
Name
AKOS015903103
Role
alias
Source
TCMBank
Preferred
No
Name
AN-939
Role
alias
Source
TCMBank
Preferred
No
Name
AX8140581
Role
alias
Source
TCMBank
Preferred
No
Name
BBL023468
Role
alias
Source
TCMBank
Preferred
No
Name
BC201817
Role
alias
Source
TCMBank
Preferred
No
Name
BDBM15236
Role
alias
Source
TCMBank
Preferred
No
Name
BG01607805
Role
alias
Source
TCMBank
Preferred
No
Name
BIDD:ER0142
Role
alias
Source
TCMBank
Preferred
No
Name
BIDD:PXR0079
Role
alias
Source
TCMBank
Preferred
No
Name
BPBio1_000628
Role
alias
Source
TCMBank
Preferred
No
Name
BRD-K43149758-001-04-5
Role
alias
Source
TCMBank
Preferred
No
Name
BRN 0332331
Role
alias
Source
TCMBank
Preferred
No
Name
BS0289
Role
alias
Source
TCMBank
Preferred
No
Name
BSPBio_000570
Role
alias
Source
TCMBank
Preferred
No
Name
Bio-0838
Role
alias
Source
TCMBank
Preferred
No
Name
C07E0ED2-ABF6-4BD3-A2B2-A98CAEF20FD1
Role
alias
Source
TCMBank
Preferred
No
Name
C10107
Role
alias
Source
TCMBank
Preferred
No
Name
CAS-529-44-2
Role
alias
Source
TCMBank
Preferred
No
Name
CCG-204825
Role
alias
Source
TCMBank
Preferred
No
Name
CCRIS 5838
Role
alias
Source
TCMBank
Preferred
No
Name
CHEBI:18152
Role
alias
Source
TCMBank
Preferred
No
Name
CHEBI:58395
Role
alias
Source
SymMap_v2
Preferred
No
Name
CHEBI:58395
Role
alias
Source
TCMBank
Preferred
No
Name
CHEMBL164
Role
alias
Source
TCMBank
Preferred
No
Name
CM0160
Role
alias
Source
TCMBank
Preferred
No
Name
CS-6221
Role
alias
Source
TCMBank
Preferred
No
Name
Cannabiscetin
Role
alias
Source
HERB_v2
Preferred
No
Name
Cannabiscetin
Role
alias
Source
TCMBank
Preferred
No
Name
Cannabiscetin
Role
alias
Source
itcmdb_public
Preferred
No
Name
D0T3PW
Role
alias
Source
TCMBank
Preferred
No
Name
DB02375
Role
alias
Source
TCMBank
Preferred
No
Name
DTXSID8022400
Role
alias
Source
TCMBank
Preferred
No
Name
DivK1c_006627
Role
alias
Source
TCMBank
Preferred
No
Name
EINECS 208-463-2
Role
alias
Source
TCMBank
Preferred
No
Name
EU-0100740
Role
alias
Source
TCMBank
Preferred
No
Name
FLAVONE, 3,3',4',5,5',7-HEXAHYDROXY-
Role
alias
Source
TCMBank
Preferred
No
Name
FT-0672573
Role
alias
Source
TCMBank
Preferred
No
Name
Flavone,3',4',5,5',7-hexahydroxy-
Role
alias
Source
TCMBank
Preferred
No
Name
GL5441
Role
alias
Source
TCMBank
Preferred
No
Name
HMS1569M12
Role
alias
Source
TCMBank
Preferred
No
Name
HMS2096M12
Role
alias
Source
TCMBank
Preferred
No
Name
HMS2231L04
Role
alias
Source
TCMBank
Preferred
No
Name
HMS3262C22
Role
alias
Source
TCMBank
Preferred
No
Name
HMS3656I05
Role
alias
Source
TCMBank
Preferred
No
Name
HSDB 7682
Role
alias
Source
TCMBank
Preferred
No
Name
HY-15097
Role
alias
Source
TCMBank
Preferred
No
Name
I14-19097
Role
alias
Source
TCMBank
Preferred
No
Name
IKMDFBPHZNJCSN-UHFFFAOYSA-N
Role
alias
Source
TCMBank
Preferred
No
Name
KBio1_001571
Role
alias
Source
TCMBank
Preferred
No
Name
KBio2_001981
Role
alias
Source
TCMBank
Preferred
No
Name
KBio2_004549
Role
alias
Source
TCMBank
Preferred
No
Name
KBio2_007117
Role
alias
Source
TCMBank
Preferred
No
Name
KBioGR_001884
Role
alias
Source
TCMBank
Preferred
No
Name
KBioSS_001981
Role
alias
Source
TCMBank
Preferred
No
Name
KS-00000GOF
Role
alias
Source
TCMBank
Preferred
No
Name
KS-5268
Role
alias
Source
TCMBank
Preferred
No
Name
LMPK12110001
Role
alias
Source
TCMBank
Preferred
No
Name
LP00740
Role
alias
Source
TCMBank
Preferred
No
Name
LS-69005
Role
alias
Source
TCMBank
Preferred
No
Name
Lopac-M-6760
Role
alias
Source
TCMBank
Preferred
No
Name
Lopac0_000740
Role
alias
Source
TCMBank
Preferred
No
Name
M 6760
Role
alias
Source
TCMBank
Preferred
No
Name
M-1214
Role
alias
Source
TCMBank
Preferred
No
Name
M2131
Role
alias
Source
TCMBank
Preferred
No
Name
M6760_SIGMA
Role
alias
Source
TCMBank
Preferred
No
Name
MCULE-6299186219
Role
alias
Source
TCMBank
Preferred
No
Name
MEGxp0_000357
Role
alias
Source
TCMBank
Preferred
No
Name
MFCD00006827
Role
alias
Source
TCMBank
Preferred
No
Name
MLS002153825
Role
alias
Source
TCMBank
Preferred
No
Name
MLS006010718
Role
alias
Source
TCMBank
Preferred
No
Name
MYC
Role
alias
Source
TCMBank
Preferred
No
Name
MolPort-001-740-532
Role
alias
Source
TCMBank
Preferred
No
Name
Myricetin
Role
alias
Source
TCMBank
Preferred
No
Name
Myricetin (Cannabiscetin)
Role
alias
Source
TCMBank
Preferred
No
Name
Myricetin from Myrica cerifera leaf and bark
Role
alias
Source
TCMBank
Preferred
No
Name
Myricetin, >=96.0% (HPLC)
Role
alias
Source
TCMBank
Preferred
No
Name
Myricetin, >=96.0%, crystalline
Role
alias
Source
TCMBank
Preferred
No
Name
Myricetin, analytical standard
Role
alias
Source
TCMBank
Preferred
No
Name
Myricetin, primary pharmaceutical reference standard
Role
alias
Source
TCMBank
Preferred
No
Name
Myricetol
Role
alias
Source
itcmdb_public
Preferred
No
Name
Myricetol
Role
alias
Source
HERB_v2
Preferred
No
Name
Myricetol
Role
alias
Source
TCMBank
Preferred
No
Name
Myricitin
Role
alias
Source
itcmdb_public
Preferred
No
Name
Myricitin
Role
alias
Source
TCMBank
Preferred
No
Name
Myricitin
Role
alias
Source
HERB_v2
Preferred
No
Name
N1850
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00015697-01
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00015697-02
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00015697-03
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00015697-04
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00015697-05
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00015697-06
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00015697-07
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00015697-08
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00015697-09
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00015697-10
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00015697-11
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00015697-12
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00015697-13
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00094083-01
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00094083-02
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00094083-03
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00094083-04
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00179517-01
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00179517-02
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00261425-01
Role
alias
Source
TCMBank
Preferred
No
Name
NCI60_003870
Role
alias
Source
TCMBank
Preferred
No
Name
NSC407290
Role
alias
Source
TCMBank
Preferred
No
Name
Prestwick0_000465
Role
alias
Source
TCMBank
Preferred
No
Name
Prestwick1_000465
Role
alias
Source
TCMBank
Preferred
No
Name
Prestwick2_000465
Role
alias
Source
TCMBank
Preferred
No
Name
Prestwick3_000465
Role
alias
Source
TCMBank
Preferred
No
Name
Prestwick_342
Role
alias
Source
TCMBank
Preferred
No
Name
Q-100601
Role
alias
Source
TCMBank
Preferred
No
Name
REGID_for_CID_5281672
Role
alias
Source
TCMBank
Preferred
No
Name
S00115
Role
alias
Source
TCMBank
Preferred
No
Name
SCHEMBL19302
Role
alias
Source
TCMBank
Preferred
No
Name
SMR001233193
Role
alias
Source
TCMBank
Preferred
No
Name
SPBio_002509
Role
alias
Source
TCMBank
Preferred
No
Name
SR-01000076005
Role
alias
Source
TCMBank
Preferred
No
Name
SR-01000076005-1
Role
alias
Source
TCMBank
Preferred
No
Name
SR-01000076005-6
Role
alias
Source
TCMBank
Preferred
No
Name
ST057235
Role
alias
Source
TCMBank
Preferred
No
Name
ST24041172
Role
alias
Source
TCMBank
Preferred
No
Name
STL284709
Role
alias
Source
TCMBank
Preferred
No
Name
SpecPlus_000531
Role
alias
Source
TCMBank
Preferred
No
Name
Spectrum4_001272
Role
alias
Source
TCMBank
Preferred
No
Name
Spectrum5_000692
Role
alias
Source
TCMBank
Preferred
No
Name
Spectrum_001501
Role
alias
Source
TCMBank
Preferred
No
Name
TNP00286
Role
alias
Source
TCMBank
Preferred
No
Name
TR-018746
Role
alias
Source
TCMBank
Preferred
No
Name
Tox21_500740
Role
alias
Source
TCMBank
Preferred
No
Name
UNII-76XC01FTOJ
Role
alias
Source
TCMBank
Preferred
No
Name
ZINC03860925
Role
alias
Source
TCMBank
Preferred
No
Name
ZINC3874317
Role
alias
Source
TCMBank
Preferred
No
Name
cid_5281672
Role
alias
Source
TCMBank
Preferred
No
Name
delphidenolon 1575
Role
alias
Source
HERB_v2
Preferred
No
Name
delphidenolon 1575
Role
alias
Source
itcmdb_public
Preferred
No
Name
myricetin
Role
alias
Source
HERB_v2
Preferred
No
Name
myricetin
Role
alias
Source
itcmdb_public
Preferred
No
Name
myricetin(1-)
Role
alias
Source
SymMap_v2
Preferred
No
Name
myricetin(1-)
Role
alias
Source
TCMBank
Preferred
No
Name
s2326
Role
alias
Source
TCMBank
Preferred
No
Name
8.活血化瘀药(33-33)
Role
level1_name
Source
TCMBank
Preferred
No
Name
9.化痰止咳平喘药(34-34)
Role
level1_name
Source
TCMBank
Preferred
No
Name
blood-activating and stasis-resolving medicinal
Role
level1_name_en
Source
TCMBank
Preferred
No
Name
cough-suppressing and panting-calming medicinal
Role
level1_name_en
Source
TCMBank
Preferred
No
Name
1.温化寒痰药(8-8)
Role
level2_name
Source
TCMBank
Preferred
No
Name
2.活血调经药(11-11)
Role
level2_name
Source
TCMBank
Preferred
No
Name
blood-activating menstruationregulating medicinal
Role
level2_name_en
Source
TCMBank
Preferred
No
Name
cold-phlegm resolving and warming medicinal
Role
level2_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
3,3',4',5,5',7-Hexahydroxyflavone沙棘百花映山红益母草YI MU CAOsea-buckthorn2-(3,4,5-TRIHYDROXYPHENYL)-3,5,7-TRIHYDROXY-4H-1-BENZOPYRAN-4-ONE2o633,3',4',5,5',7-hexahydroxy-(8CI)- flavone3,3',4,4',5',7-Hexahydro-2-phenyl-4H-chromen-4-one3,3'4'5,5'7-hexOH-Flavone3,3′,4′,5,5′,7-Hexahydroxyflavone3,5,7,3',4',5'-Hexahydroxyflavone3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-4H-CHROMEN-4-ONE3,5,7-Trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-1-benzopyran-4-one3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-1-benzopyran-4-one3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4-chromenone3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)chromone3,5,7-tris(oxidanyl)-2-[3,4,5-tris(oxidanyl)phenyl]chromen-4-one3,7,3',4',5'-Hexahydroxyflavone4CN-10854H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)- (9CI)4H-1-Benzopyran-4-one,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4gqr5,7-dihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)-4H-chromen-3-olate5-18-05-00670 (Beilstein Handbook Reference)529-44-2529M44270050_FLUKA76XC01FTOJA829320AB0149714AC-4533AC1NQYV4ACon1_000267AIDS-001411AJ-46397AK111247AKOS015903103AN-939AX8140581BBL023468BC201817BDBM15236BG01607805BIDD:ER0142BIDD:PXR0079BPBio1_000628BRD-K43149758-001-04-5BRN 0332331BS0289BSPBio_000570Bio-0838C07E0ED2-ABF6-4BD3-A2B2-A98CAEF20FD1C10107CAS-529-44-2CCG-204825CCRIS 5838CHEBI:18152CHEBI:58395CHEMBL164CM0160CS-6221CannabiscetinD0T3PWDB02375DTXSID8022400DivK1c_006627EINECS 208-463-2EU-0100740FLAVONE, 3,3',4',5,5',7-HEXAHYDROXY-FT-0672573Flavone,3',4',5,5',7-hexahydroxy-GL5441HMS1569M12HMS2096M12HMS2231L04HMS3262C22HMS3656I05HSDB 7682HY-15097I14-19097IKMDFBPHZNJCSN-UHFFFAOYSA-NKBio1_001571KBio2_001981KBio2_004549KBio2_007117KBioGR_001884KBioSS_001981KS-00000GOFKS-5268LMPK12110001LP00740LS-69005Lopac-M-6760Lopac0_000740M 6760M-1214M2131M6760_SIGMAMCULE-6299186219MEGxp0_000357MFCD00006827MLS002153825MLS006010718MYCMolPort-001-740-532Myricetin (Cannabiscetin)Myricetin from Myrica cerifera leaf and barkMyricetin, >=96.0% (HPLC)Myricetin, >=96.0%, crystallineMyricetin, analytical standardMyricetin, primary pharmaceutical reference standardMyricetolMyricitinN1850NCGC00015697-01NCGC00015697-02NCGC00015697-03NCGC00015697-04NCGC00015697-05NCGC00015697-06NCGC00015697-07NCGC00015697-08NCGC00015697-09NCGC00015697-10NCGC00015697-11NCGC00015697-12NCGC00015697-13NCGC00094083-01NCGC00094083-02NCGC00094083-03NCGC00094083-04NCGC00179517-01NCGC00179517-02NCGC00261425-01NCI60_003870NSC407290Prestwick0_000465Prestwick1_000465Prestwick2_000465Prestwick3_000465Prestwick_342Q-100601REGID_for_CID_5281672S00115SCHEMBL19302SMR001233193SPBio_002509SR-01000076005SR-01000076005-1SR-01000076005-6ST057235ST24041172STL284709SpecPlus_000531Spectrum4_001272Spectrum5_000692Spectrum_001501TNP00286TR-018746Tox21_500740UNII-76XC01FTOJZINC03860925ZINC3874317cid_5281672delphidenolon 1575myricetin(1-)s23268.活血化瘀药(33-33)9.化痰止咳平喘药(34-34)blood-activating and stasis-resolving medicinalcough-suppressing and panting-calming medicinal1.温化寒痰药(8-8)2.活血调经药(11-11)blood-activating menstruationregulating medicinalcold-phlegm resolving and warming medicinal
Cross References
Trusted external identifiers retained for this final record.
Cas
529-44-2
Hit
C0229
Herb
HBIN007081HBIN036092
Npass
NPC169749
Tcmid
1516223301
Tcmsp
MOL002008
Sym Map
SMIT00136SMIT18327
Tcm Id
1085710858108591330813309133101331113312133131331413315133161331713318133191332013321133221332313324133251332613327138241382514613146141497314974152161521715873185121851318514185151851618517185181851918520185211852223367233682478
Pub Chem
5281672
Tcmbank
TCMBANKIN039100TCMBANKIN054261TCMBANKIN057812TCMBANKIN058076
Drug Bank
DB02375
Etcm Ingredient
Myricetin
Itcmdb Generated
ITX-INGREDIENT-0975D592F49BITX-INGREDIENT-0991D06B8219ITX-INGREDIENT-5C21B9D20DD5ITX-INGREDIENT-F09B612E514D
Attributes
Merged source attributes and domain-specific metadata.
Ic
3.29466
Jx
2.09669
Jy
2.21702
Bic
0.65313
Cic
1.22889
Phi
3.5865
Sic
0.72833
Log D
0.0470.677
Sc 0
23
Sc 1
25
Sc 2
38
Type
Other ingredients
Alog P
1.388
Chi 0
16.8864
Chi 1
10.7906
Chi 2
10.554210.5543
In Ch I
InChI=1S/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H
Mol Wt
318.237
Pmi X
145.905146.77146.779
Energy
33.5733.5834.36
Sc 3 C
11
Sc 3 P
52
Smiles
C1(C(=C(c2c([H])c(O[H])c(O[H])c(O[H])c2[H])Oc(c([H])c(O[H])c([H])c3O[H])c13)O[H])=OC1(c2c([H])c(O[H])c(O[H])c(O[H])c2[H])=C(C(c3c(O1)c([H])c(O[H])c([H])c3O[H])=O)O[H]C1=C(C=C(C(=C1O)O)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)Oc1([H])c(O[H])c(C(=O)C(O[H])=C(c2c([H])c(O[H])c(O[H])c(O[H])c2[H])O3)c3c([H])c1O[H]
Zagreb
126
37 Flag
37
Chi 3 C
2.15365
Chi 3 P
9.117099.1171
Chi V 0
11.3092
Chi V 1
6.26341
Chi V 2
4.81005
C Count
15
Kappa 1
17.8112
Kappa 2
6.71883
Kappa 3
3.25443
Mol Log P
1.6936
N Count
0
O Count
.8
P Count
0
Sc 3 Ch
0
S Count
0
Version
v1,v2
Alog P Mr
77.122
Chi 3 Ch
0
Dipole X
-2.72914-2.729194.34852
Dipole Y
-0.607563.435923.43607
Dipole Z
-0.00074-0.000810.00018
Iac Mean
1.53461
In Ch Ikey
IKMDFBPHZNJCSN-UHFFFAOYSA-N
Is Chiral
0
Ob Score
13.74813.7483316513.748332
Suppress
0
Tcm Name
沙棘百花映山红益母草
Chi V 3 C
0.6868
Chi V 3 P
3.26722
Es Sum D O
12.165
Es Sum T N
0
E Adj Equ
333.714
E Adj Mag
474.842
Hba Count
2
Hbd Count
6
Iac Total
50.6424
Jurs Rasa
0.337890.34176
Jurs Rncg
0.12977
Jurs Rncs
6.729976.86902
Jurs Rpcg
0.18568
Jurs Rpcs
1.435111.47996
Jurs Rpsa
0.658230.6621
Jurs Sasa
470.333472.078
Jurs Tasa
158.924161.339
Jurs Tpsa
310.738311.408
Num Atoms
23
Num Bonds
25
Num Rings
3
Shadow Xy
84.954885.000985.0434
Shadow Xz
38.836338.84138.8411
Shadow Yz
23.483623.549823.5511
Shadow Nu
4.069884.070014.0701
Tcm Name2
BAI HUA YING SHAN HONG
V Adj Equ
238.776
V Adj Mag
282.193
Mol2 Path
/TCM_database/2003_3d_all/6105.mol2/TCM_database/8.活血化瘀药(33-33)/2.活血调经药(11-11)/益母草/Structures/myricetin.mol2/TCM_database/9.化痰止咳平喘药(34-34)/1.温化寒痰药(8-8)/沙棘/structure/Myricetin.mol2
Reference
2, 4, 605, 658, 4013, 4163, 4244, 4100,5501, 5507
Chi V 3 Ch
0
Dipole Mag
4.387934.388024.39076
Es Sum Aa N
0
Es Sum Aa O
0
Es Sum D Nh
0
Es Sum Dd C
0
Es Sum Ds N
0
Es Sum S Oh
57.497
Es Sum Ss O
5.297
Es Sum T Ch
0
Es Sum Ts C
0
Kappa 1 Am
15.4651
Kappa 2 Am
5.33392
Kappa 3 Am
2.45864
Num Hdonors
6
Num Chains
8
Num Rings3
0
Num Rings4
0
Num Rings5
0
Num Rings6
3
Num Rings7
0
Num Rings8
0
Es Count D O
1
Es Count T N
0
Es Sum Aa Ch
3.887
Es Sum Aa Nh
0
Es Sum Aaa C
0
Es Sum Aas C
-3.757
Es Sum Aas N
0
Es Sum D Ch2
0
Es Sum Dds N
0
Es Sum Ds Ch
0
Es Sum Dss C
-2.258
Es Sum S Ch3
0
Es Sum S Nh2
0
Es Sum S Nh3
0
Es Sum Ss Nh
0
Es Sum Sss N
0
Jurs Dpsa 1
-319.433-319.62
Jurs Dpsa 3
115.101115.214
Jurs Fnsa 1
0.838320.83978
Jurs Fnsa 2
-2.33024-2.33428
Jurs Fnsa 3
-0.22559-0.2268
Jurs Fpsa 1
0.160210.16167
Jurs Fpsa 2
0.192590.19434
Jurs Fpsa 3
0.018170.01823
Jurs Pnsa 1
394.976395.755
Jurs Pnsa 2
-1097.89-1100.05
Jurs Pnsa 3
-106.495-106.667
Jurs Ppsa 1
75.356276.3223
Jurs Ppsa 3
8.546918.60614
Jurs Wnsa 1
185.77186.827
Jurs Wnsa 2
-516.372-519.31
Jurs Wnsa 3
-50.1688-50.2739
Jurs Wpsa 1
35.442536.03
Jurs Wpsa 3
4.019894.06276
Num Pi Bonds
0
Tcm Name En
Snow AzaleaYI MU CAOsea-buckthorn
Level1 Name
8.活血化瘀药(33-33)9.化痰止咳平喘药(34-34)
Level2 Name
1.温化寒痰药(8-8)2.活血调经药(11-11)
Admet Psa 2 D
151.123
Es Count Aa N
0
Es Count Aa O
0
Es Count D Nh
0
Es Count Dd C
0
Es Count Ds N
0
Es Count S Oh
6
Es Count Ss O
1
Es Count T Ch
0
Es Count Ts C
0
Es Sum Ss Ch2
0
Es Sum Ss Nh2
0
Es Sum Sss Ch
0
Es Sum Sss Nh
0
Es Sum Ssss C
0
Es Sum Ssss N
0
Nplus O Count
8
Num H Donors
6
Admet Alog P98
1.388
Admet Ext Ppb
-5.53895
Drug Likeness
0.371
Es Count Aa Ch
4
Es Count Aa Nh
0
Es Count Aaa C
0
Es Count Aas C
8
Es Count Aas N
0
Es Count D Ch2
0
Es Count Dds N
0
Es Count Ds Ch
0
Es Count Dss C
3
Es Count S Ch3
0
Es Count S Nh2
0
Es Count S Nh3
0
Es Count Ss Nh
0
Es Count Sss N
0
Es Sum Sssss P
0
Num Hacceptors
8
Num Fragments
1
Num Hydrogens
10
Num Ring Bonds
17
Organic Count
23
Rad Of Gyration
3.562263.56233.56497
Shadow Xyfrac
0.69870.699020.70032
Shadow Xzfrac
0.82539
Shadow Yzfrac
0.78787
Strain Energy
33.8333.8434.57
Es Count Ss Ch2
0
Es Count Ss Nh2
0
Es Count Sss Ch
0
Es Count Sss Nh
0
Es Count Ssss C
0
Es Count Ssss N
0
Molecular Mass
318.038
Molecular Sasa
460.065
Num Metal Atoms
0
Num Rings9 Plus
0
Shadow Xlength
13.838213.839213.8394
Shadow Ylength
8.766168.790548.79094
Shadow Zlength
3.400133.400253.40029
Level1 Name En
blood-activating and stasis-resolving medicinalcough-suppressing and panting-calming medicinal
Level2 Name En
blood-activating menstruationregulating medicinalcold-phlegm resolving and warming medicinal
Admet Bbb Level
4
Isomeric Smiles
C1=C(C=C(C(=C1O)O)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O
Molecular Savol
413.28
Molecule Weight
318.25
Num Atom Classes
20
Num Bridge Bonds
0
Num H Acceptors
8
Num Repeat Units
0
Admet Ext Cyp2 D6
-2.51202
Admet Solubility
-2.843
Canonical Smiles
C1=C(C=C(C(=C1O)O)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O
Herb Alias Names
myricetin529-44-2CannabiscetinMyricetol3,5,7-Trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chromen-4-oneMyricitin3,5,7,3',4',5'-Hexahydroxyflavone3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-onedelphidenolon 1575
Minimized Energy
-0.21-0.26
Molecular Weight
318.040
Molecular Volume
218.83219.86
Molecular Weight
318.23 g/mol318.235
Molecule Formula
C15H10O8
Num Macro Chains
0
Molecular Formula
C15H10O8
Molecular Formula
C15H10O8
Molecular Formula
C15H10O8
Num Rotatable Bonds
1
Num Aromatic Bonds
12
Num Aromatic Rings
2
Num Explicit Atoms
23
Num Explicit Bonds
25
Num Negative Atoms
0
Num Positive Atoms
0
Num Macro Residues
0
Num Ring Assemblies
2
Num Rotatable Bonds
1
Molecular Polar Sasa
262.531
Num Bridge Head Atoms
0
Num Chain Assemblies
8
Num Meso Stereo Atoms
0
Molecular Solubility
-1.134
Admet Ext Hepatotoxic
1.74962
Admet Unknown Alog P98
0
Molecular Surface Area
280.38
Num Explicit Hydrogens
0
Num H Donors Lipinski
6
Num Pseudo Stereo Atoms
0
Admet Absorption Level
3
Admet Solubility Level
3
Admet Ext Ppb#Prediction
0
Num H Acceptors Lipinski
8
Molecular Polar Surface Area
147.68
Admet Ext Cyp2 D6#Prediction
0
Molecular Fractional Polar Sasa
0.57
Admet Ext Ppb Applicability#Md
11.3894
Fda Maximum Daily Dose (Fdamdd)
0.557
Admet Ext Hepatotoxic#Prediction
1
Admet Ext Cyp2 D6 Applicability#Md
13.5333
Admet Ext Ppb Applicability#Mdpvalue
0.295163
Molecular Fractional Polar Surface Area
0.526
Admet Ext Hepatotoxic Applicability#Md
8.73515
Admet Ext Cyp2 D6 Applicability#Mdpvalue
0.0000848.4e-05
Admet Ext Hepatotoxic Applicability#Mdpvalue
0.591627
Quantitative Estimate Of Drug Likeness（Qed）
0.371