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
- 13047
- Core Entity Id
- 17671
- Source Entity Count
- 1
- Preferred Name
- Broussonol b
- Name En
- Broussonol B
- Pubchem Id
- 10320815
- Smiles Canonical
- CC1C(C2=C(O1)C=C(C3=C2OC(=C(C3=O)O)C4=CC5=C(C(=C4)O)OC(C=C5)(C)C)O)(C)C
- Molecular Formula
- C25H24O7
- Molecular Weight
- 436.4600
- Inchikey
- WYEJSRSJEMZHNA-UHFFFAOYSA-N
- Inchi
- InChI=1S/C25H24O7/c1-11-25(4,5)18-16(30-11)10-14(26)17-19(28)20(29)22(31-23(17)18)13-8-12-6-7-24(2,3)32-21(12)15(27)9-13/h6-11,26-27,29H,1-5H3
- Isomeric Smiles
- CC1C(C2=C(O1)C=C(C3=C2OC(=C(C3=O)O)C4=CC5=C(C(=C4)O)OC(C=C5)(C)C)O)(C)C
- Cas Id
- Ob Score
- Mol Logp
- 4.8195
- Num H Donors
- 3
- Num H Acceptors
- 7
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.5020
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Broussonol B
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Broussonol B
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Broussonol b
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Broussonol b
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
小构树
Role
TCM_name
Source
TCMBank
Preferred
No
Name
XIAO GOU SHU
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Kazinoki Papermulberry
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
3,5-dihydroxy-2-(8-hydroxy-2,2-dimethylchromen-6-yl)-8,9,9-trimethyl-8H-furo(2,3-h)chromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
3,5-dihydroxy-2-(8-hydroxy-2,2-dimethylchromen-6-yl)-8,9,9-trimethyl-8H-furo[2,3-h]chromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
370563-80-7
Role
alias
Source
itcmdb_public
Preferred
No
Name
370563-80-7
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL457086
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL457086
Role
alias
Source
HERB_v2
Preferred
No
Name
LMPK12112282
Role
alias
Source
HERB_v2
Preferred
No
Name
LMPK12112282
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
小构树XIAO GOU SHUKazinoki Papermulberry3,5-dihydroxy-2-(8-hydroxy-2,2-dimethylchromen-6-yl)-8,9,9-trimethyl-8H-furo(2,3-h)chromen-4-one3,5-dihydroxy-2-(8-hydroxy-2,2-dimethylchromen-6-yl)-8,9,9-trimethyl-8H-furo[2,3-h]chromen-4-one370563-80-7CHEMBL457086LMPK12112282
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN018889
Npass
NPC165456
Tcmid
2653
Pub Chem
10320815
Tcmbank
TCMBANKIN037116
Etcm Ingredient
Broussonol B
Itcmdb Generated
ITX-INGREDIENT-A9A732E65215
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C25H24O7/c1-11-25(4,5)18-16(30-11)10-14(26)17-19(28)20(29)22(31-23(17)18)13-8-12-6-7-24(2,3)32-21(12)15(27)9-13/h6-11,26-27,29H,1-5H3
Mol Wt
436.4600000000002
Mol Log P
4.819500000000004
In Ch Ikey
WYEJSRSJEMZHNA-UHFFFAOYSA-N
Tcm Name
小构树
Tcm Name2
XIAO GOU SHU
Mol2 Path
/TCM_database/2007_3d_all/02653.mol2
Reference
3085
Num Hdonors
3
Tcm Name En
Kazinoki Papermulberry
Drug Likeness
0.502
Num Hacceptors
7
Isomeric Smiles
CC1C(C2=C(O1)C=C(C3=C2OC(=C(C3=O)O)C4=CC5=C(C(=C4)O)OC(C=C5)(C)C)O)(C)C
Canonical Smiles
CC1C(C2=C(O1)C=C(C3=C2OC(=C(C3=O)O)C4=CC5=C(C(=C4)O)OC(C=C5)(C)C)O)(C)C
Herb Alias Names
3,5-dihydroxy-2-(8-hydroxy-2,2-dimethylchromen-6-yl)-8,9,9-trimethyl-8H-furo(2,3-h)chromen-4-one3,5-dihydroxy-2-(8-hydroxy-2,2-dimethylchromen-6-yl)-8,9,9-trimethyl-8H-furo[2,3-h]chromen-4-oneCHEMBL457086LMPK12112282370563-80-7
Molecular Weight
436.150
Molecular Weight
436.5 g/mol
Molecular Formula
C25H24O7
Molecular Formula
C25H24O7
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.860
Quantitative Estimate Of Drug Likeness（Qed）
0.502