Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 34485
- Core Entity Id
- 41526
- Source Entity Count
- 1
- Preferred Name
- Tanariflavanone b
- Name En
- Pubchem Id
- 11113726
- Smiles Canonical
- CC(=CCCC1(C=CC2=C(C=CC(=C2O1)O)C3CC(=O)C4=C(O3)C=C(C(=C4O)CC=C(C)C)O)C)C
- Molecular Formula
- C30H34O6
- Molecular Weight
- 490.5960
- Inchikey
- URMUEILYNQBSDZ-SUHMBNCMSA-N
- Inchi
- InChI=1S/C30H34O6/c1-17(2)7-6-13-30(5)14-12-20-19(10-11-22(31)29(20)36-30)25-16-24(33)27-26(35-25)15-23(32)21(28(27)34)9-8-18(3)4/h7-8,10-12,14-15,25,31-32,34H,6,9,13,16H2,1-5H3/t25-,30?/m0/s1
- Isomeric Smiles
- CC(=CCCC1(C=CC2=C(C=CC(=C2O1)O)[C@@H]3CC(=O)C4=C(O3)C=C(C(=C4O)CC=C(C)C)O)C)C
- Cas Id
- Ob Score
- Mol Logp
- 6.9293
- Num H Donors
- 3
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 6
- Drug Likeness
- 0.3800
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Tanariflavanone B
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Tanariflavanone b
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Tanariflavanone b
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
血桐
Role
TCM_name
Source
TCMBank
Preferred
No
Name
XUE TONG
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Common Macaranga
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
(2S)-5,7,8'-trihydroxy-2'-methyl-6-(3-methylbut-2-en-1-yl)-2'-(4-methylpent-3-en-1-yl)-2,3-dihydro-2'H,4H-2,5'-bichromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
(2S)-5,7,8'-trihydroxy-2'-methyl-6-(3-methylbut-2-en-1-yl)-2'-(4-methylpent-3-en-1-yl)-2,3-dihydro-2'H,4H-2,5'-bichromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
(2S)-5,7-dihydroxy-2-[8-hydroxy-2-methyl-2-(4-methylpent-3-enyl)chromen-5-yl]-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
(2S)-5,7-dihydroxy-2-[8-hydroxy-2-methyl-2-(4-methylpent-3-enyl)chromen-5-yl]-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
5,7,4'-Trihydroxy-6-prenyl-6''-methyl,6''-(4-methylpent-3-enyl)-pyrano(2'',3'':3',2')flavanone
Role
alias
Source
itcmdb_public
Preferred
No
Name
5,7,4'-Trihydroxy-6-prenyl-6''-methyl,6''-(4-methylpent-3-enyl)-pyrano[2'',3'':3',2']flavanone
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:66189
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:66189
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL486181
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL486181
Role
alias
Source
HERB_v2
Preferred
No
Name
LMPK12140428
Role
alias
Source
itcmdb_public
Preferred
No
Name
LMPK12140428
Role
alias
Source
HERB_v2
Preferred
No
Name
Q27134723
Role
alias
Source
itcmdb_public
Preferred
No
Name
Q27134723
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
血桐XUE TONGCommon Macaranga(2S)-5,7,8'-trihydroxy-2'-methyl-6-(3-methylbut-2-en-1-yl)-2'-(4-methylpent-3-en-1-yl)-2,3-dihydro-2'H,4H-2,5'-bichromen-4-one(2S)-5,7-dihydroxy-2-[8-hydroxy-2-methyl-2-(4-methylpent-3-enyl)chromen-5-yl]-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one5,7,4'-Trihydroxy-6-prenyl-6''-methyl,6''-(4-methylpent-3-enyl)-pyrano(2'',3'':3',2')flavanone5,7,4'-Trihydroxy-6-prenyl-6''-methyl,6''-(4-methylpent-3-enyl)-pyrano[2'',3'':3',2']flavanoneCHEBI:66189CHEMBL486181LMPK12140428Q27134723
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN045467
Npass
NPC19213
Tcmid
20652
Pub Chem
11113726
Tcmbank
TCMBANKIN048607
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C30H34O6/c1-17(2)7-6-13-30(5)14-12-20-19(10-11-22(31)29(20)36-30)25-16-24(33)27-26(35-25)15-23(32)21(28(27)34)9-8-18(3)4/h7-8,10-12,14-15,25,31-32,34H,6,9,13,16H2,1-5H3/t25-,30?/m0/s1
Mol Wt
490.5960000000003
Mol Log P
6.929300000000008
In Ch Ikey
URMUEILYNQBSDZ-SUHMBNCMSA-N
Tcm Name
血桐
Tcm Name2
XUE TONG
Mol2 Path
/TCM_database/2007_3d_all/20668.mol2
Reference
3062
Num Hdonors
3
Tcm Name En
Common Macaranga
Drug Likeness
0.38
Num Hacceptors
6
Isomeric Smiles
CC(=CCCC1(C=CC2=C(C=CC(=C2O1)O)[C@@H]3CC(=O)C4=C(O3)C=C(C(=C4O)CC=C(C)C)O)C)C
Canonical Smiles
CC(=CCCC1(C=CC2=C(C=CC(=C2O1)O)C3CC(=O)C4=C(O3)C=C(C(=C4O)CC=C(C)C)O)C)C
Herb Alias Names
CHEBI:661895,7,4'-Trihydroxy-6-prenyl-6''-methyl,6''-(4-methylpent-3-enyl)-pyrano[2'',3'':3',2']flavanone(2S)-5,7,8'-trihydroxy-2'-methyl-6-(3-methylbut-2-en-1-yl)-2'-(4-methylpent-3-en-1-yl)-2,3-dihydro-2'H,4H-2,5'-bichromen-4-one(2S)-5,7-dihydroxy-2-[8-hydroxy-2-methyl-2-(4-methylpent-3-enyl)chromen-5-yl]-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one(2S)-5,7-dihydroxy-2-(8-hydroxy-2-methyl-2-(4-methylpent-3-enyl)chromen-5-yl)-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one5,7,4'-Trihydroxy-6-prenyl-6''-methyl,6''-(4-methylpent-3-enyl)-pyrano(2'',3'':3',2')flavanoneCHEMBL486181LMPK12140428Q27134723
Molecular Weight
490.6 g/mol
Molecular Formula
C30H34O6
Num Rotatable Bonds
6