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
- 26673
- Core Entity Id
- 32837
- Source Entity Count
- 1
- Preferred Name
- Morusignin b
- Name En
- Pubchem Id
- 14492422
- Smiles Canonical
- CC(=CCC1=C(C2=C(C=C1O)OC3=C(C=CC(=C3C2=O)O)O)O)C
- Molecular Formula
- C18H16O6
- Molecular Weight
- 328.3200
- Inchikey
- AQSBDDHXYVQYHC-UHFFFAOYSA-N
- Inchi
- InChI=1S/C18H16O6/c1-8(2)3-4-9-12(21)7-13-15(16(9)22)17(23)14-10(19)5-6-11(20)18(14)24-13/h3,5-7,19-22H,4H2,1-2H3
- Isomeric Smiles
- CC(=CCC1=C(C2=C(C=C1O)OC3=C(C=CC(=C3C2=O)O)O)O)C
- Cas Id
- Ob Score
- Mol Logp
- 3.2773
- Num H Donors
- 4
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.3260
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Morusignin B
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Morusignin b
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Morusignin b
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
morusignin B
Role
preferred
Source
TCMBank
Preferred
Yes
Name
1,3,5,8-TETRAHYDROXY-2-(3-METHYLBUT-2-EN-1-YL)-9H-XANTHEN-9-ONE
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,3,5,8-TETRAHYDROXY-2-(3-METHYLBUT-2-EN-1-YL)-9H-XANTHEN-9-ONE
Role
alias
Source
HERB_v2
Preferred
No
Name
1,3,5,8-Tetrahydroxy-2-(3-methyl-2-buten-1-yl)-9H-xanthen-9-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,3,5,8-Tetrahydroxy-2-(3-methyl-2-buten-1-yl)-9H-xanthen-9-one
Role
alias
Source
HERB_v2
Preferred
No
Name
1,3,5,8-Tetrahydroxy-2-(3-methyl-2-butenyl)xanthone
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,3,5,8-Tetrahydroxy-2-(3-methyl-2-butenyl)xanthone
Role
alias
Source
HERB_v2
Preferred
No
Name
1,3,5,8-tetrahydroxy-2-(3-methylbut-2-enyl)xanthen-9-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,3,5,8-tetrahydroxy-2-(3-methylbut-2-enyl)xanthen-9-one
Role
alias
Source
HERB_v2
Preferred
No
Name
127716-76-1
Role
alias
Source
HERB_v2
Preferred
No
Name
127716-76-1
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:174399
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:174399
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID801174709
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID801174709
Role
alias
Source
HERB_v2
Preferred
No
Name
Morusignins B
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
morusignins B
Role
preferred
Source
TCMBank
Preferred
Yes
Aliases
Additional names normalized into the restored final schema.
1,3,5,8-TETRAHYDROXY-2-(3-METHYLBUT-2-EN-1-YL)-9H-XANTHEN-9-ONE1,3,5,8-Tetrahydroxy-2-(3-methyl-2-buten-1-yl)-9H-xanthen-9-one1,3,5,8-Tetrahydroxy-2-(3-methyl-2-butenyl)xanthone1,3,5,8-tetrahydroxy-2-(3-methylbut-2-enyl)xanthen-9-one127716-76-1CHEBI:174399DTXSID801174709Morusignins B
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN035771HBIN035777
Npass
NPC128006
Tcmid
3837438440
Sym Map
SMIT25489SMIT25493
Pub Chem
14492422
Tcmbank
TCMBANKIN007846TCMBANKIN033866
Itcmdb Generated
ITX-INGREDIENT-BF8475A09EA7ITX-INGREDIENT-435A39E45B42
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C18H16O6/c1-8(2)3-4-9-12(21)7-13-15(16(9)22)17(23)14-10(19)5-6-11(20)18(14)24-13/h3,5-7,19-22H,4H2,1-2H3
Mol Wt
328.3200000000001
Smiles
CC(=CCC1=C(C2=C(C=C1O)OC3=C(C=CC(=C3C2=O)O)O)O)C
Mol Log P
3.277300000000002
Version
v2
In Ch Ikey
AQSBDDHXYVQYHC-UHFFFAOYSA-N
Suppress
0
Num Hdonors
4
Drug Likeness
0.326
Num Hacceptors
6
Isomeric Smiles
CC(=CCC1=C(C2=C(C=C1O)OC3=C(C=CC(=C3C2=O)O)O)O)C
Canonical Smiles
CC(=CCC1=C(C2=C(C=C1O)OC3=C(C=CC(=C3C2=O)O)O)O)C
Herb Alias Names
CHEBI:174399DTXSID801174709127716-76-11,3,5,8-Tetrahydroxy-2-(3-methyl-2-butenyl)xanthone1,3,5,8-tetrahydroxy-2-(3-methylbut-2-enyl)xanthen-9-one1,3,5,8-Tetrahydroxy-2-(3-methyl-2-buten-1-yl)-9H-xanthen-9-one1,3,5,8-TETRAHYDROXY-2-(3-METHYLBUT-2-EN-1-YL)-9H-XANTHEN-9-ONE
Molecular Weight
328.3 g/mol
Molecular Formula
C18H16O6
Molecular Formula
C18H16O6
Num Rotatable Bonds
2