Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Target: 2Links: 4
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 32472
- Core Entity Id
- 39285
- Source Entity Count
- 1
- Preferred Name
- Sanggenon b
- Name En
- Pubchem Id
- 157791
- Smiles Canonical
- CC(=CCC12C(=O)C3=C(C=C(C(=C3O)C4=CC5(CC(C4)C6=C(O5)C=C(C=C6)O)C)O)OC1(C7=C(O2)C=C(C=C7)O)O)C
- Molecular Formula
- C33H30O9
- Molecular Weight
- 570.5940
- Inchikey
- GJKQLIDFFREHGO-UHFFFAOYSA-N
- Inchi
- InChI=1S/C33H30O9/c1-16(2)8-9-32-22-7-5-20(35)12-25(22)42-33(32,39)30(38)28-26(41-32)13-23(36)27(29(28)37)18-10-17-14-31(3,15-18)40-24-11-19(34)4-6-21(17)24/h4-8,11-13,15,17,34-37,39H,9-10,14H2,1-3H3
- Isomeric Smiles
- CC(=CCC12C3=C(C=C(C=C3)O)OC1(C(=O)C4=C(O2)C=C(C(=C4O)C5=CC6(CC(C5)C7=C(O6)C=C(C=C7)O)C)O)O)C
- Cas Id
- Ob Score
- Mol Logp
- 5.5290
- Num H Donors
- 5
- Num H Acceptors
- 9
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.2570
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Sanggenon B
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Sanggenon B
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Sanggenon B
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Sanggenon B
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Sanggenon b
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Sanggenon b
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
桑白皮
Role
TCM_name
Source
TCMBank
Preferred
No
Name
SANG BAI PI
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
White Mulberry Root-bast
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
1,3,8,10a-tetrahydroxy-2-(5-hydroxy-9-methyl-8-oxatricyclo(7.3.1.02,7)trideca-2(7),3,5,10-tetraen-11-yl)-5a-(3-methylbut-2-enyl)-(1)benzofuro(3,2-b)chromen-11-one
Role
alias
Source
HERB_v2
Preferred
No
Name
1,3,8,10a-tetrahydroxy-2-(5-hydroxy-9-methyl-8-oxatricyclo[7.3.1.02,7]trideca-2(7),3,5,10-tetraen-11-yl)-5a-(3-methylbut-2-enyl)-[1]benzofuro[3,2-b]chromen-11-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
BDBM50377903
Role
alias
Source
HERB_v2
Preferred
No
Name
BDBM50377903
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL507430
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL507430
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL17523342
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL17523342
Role
alias
Source
HERB_v2
Preferred
No
Name
Sanggenone B
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Sanggenone b
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
sanggenone B
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
sanggenone b
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
桑白皮SANG BAI PIWhite Mulberry Root-bast1,3,8,10a-tetrahydroxy-2-(5-hydroxy-9-methyl-8-oxatricyclo(7.3.1.02,7)trideca-2(7),3,5,10-tetraen-11-yl)-5a-(3-methylbut-2-enyl)-(1)benzofuro(3,2-b)chromen-11-one1,3,8,10a-tetrahydroxy-2-(5-hydroxy-9-methyl-8-oxatricyclo[7.3.1.02,7]trideca-2(7),3,5,10-tetraen-11-yl)-5a-(3-methylbut-2-enyl)-[1]benzofuro[3,2-b]chromen-11-oneBDBM50377903CHEMBL507430SCHEMBL17523342Sanggenone B
Cross References
Trusted external identifiers retained for this final record.
Cas
81381-67-1
Herb
HBIN042979HBIN042985
Tcmid
19241
Tcmsp
MOL012749
Sym Map
SMIT26634SMIT13480
Tcm Id
1358813589238362383723841
Pub Chem
15779144559963
Tcmbank
TCMBANKIN046174TCMBANKIN020483
Etcm Ingredient
Sanggenon Bsanggenone B
Itcmdb Generated
ITX-INGREDIENT-65092B7F00CBITX-INGREDIENT-F84DC09416A3ITX-INGREDIENT-8597B4A677EC
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C33H30O9/c1-16(2)8-9-32-22-7-5-20(35)12-25(22)42-33(32,39)30(38)28-26(41-32)13-23(36)27(29(28)37)18-10-17-14-31(3,15-18)40-24-11-19(34)4-6-21(17)24/h4-8,11-13,15,17,34-37,39H,9-10,14H2,1-3H3
Mol Wt
570.5940000000004
Mol Log P
5.529000000000009
Version
v2
In Ch Ikey
GJKQLIDFFREHGO-UHFFFAOYSA-N
Suppress
0
Tcm Name
桑白皮
Tcm Name2
SANG BAI PI
Mol2 Path
/TCM_database/2007_3d_all/19256.mol2
Reference
660, 1521, 3034
Num Hdonors
5
Tcm Name En
White Mulberry Root-bast
Drug Likeness
0.257
Num Hacceptors
9
Isomeric Smiles
CC(=CCC12C3=C(C=C(C=C3)O)OC1(C(=O)C4=C(O2)C=C(C(=C4O)C5=CC6(CC(C5)C7=C(O6)C=C(C=C7)O)C)O)O)C
Molecule Weight
570.63
Canonical Smiles
CC(=CCC12C3=C(C=C(C=C3)O)OC1(C(=O)C4=C(O2)C=C(C(=C4O)C5=CC6(CC(C5)C7=C(O6)C=C(C=C7)O)C)O)O)C
Herb Alias Names
1,3,8,10a-tetrahydroxy-2-(5-hydroxy-9-methyl-8-oxatricyclo(7.3.1.02,7)trideca-2(7),3,5,10-tetraen-11-yl)-5a-(3-methylbut-2-enyl)-(1)benzofuro(3,2-b)chromen-11-one1,3,8,10a-tetrahydroxy-2-(5-hydroxy-9-methyl-8-oxatricyclo[7.3.1.02,7]trideca-2(7),3,5,10-tetraen-11-yl)-5a-(3-methylbut-2-enyl)-[1]benzofuro[3,2-b]chromen-11-oneCHEMBL507430SCHEMBL17523342BDBM50377903
Molecular Weight
570.190
Molecular Weight
570.6 g/mol
Molecular Formula
C33H30O9
Molecular Formula
C33H30O9
Molecular Formula
C33H30O9
Num Rotatable Bonds
3
Fda Maximum Daily Dose (Fdamdd)
0.923
Quantitative Estimate Of Drug Likeness（Qed）
0.257