ITCMDBv1
IngredientID 27946

Norstictic acid

C18H12O9

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Relationship Network

Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.

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Herb: 2Ingredient: 1Target: 12Links: 14
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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id
27946
Core Entity Id
34248
Source Entity Count
1
Preferred Name
Norstictic acid
Name En
Pubchem Id
5379540
Smiles Canonical
CC1=CC(=C(C2=C1C(=O)OC3=C(O2)C4=C(C(=C3C)O)C(=O)OC4O)C=O)O
Molecular Formula
C18H12O9
Molecular Weight
372.2850
Inchikey
IEVVSJFLBYOUCJ-UHFFFAOYSA-N
Inchi
InChI=1S/C18H12O9/c1-5-3-8(20)7(4-19)14-9(5)16(22)26-13-6(2)12(21)10-11(15(13)25-14)18(24)27-17(10)23/h3-4,18,20-21,24H,1-2H3
Isomeric Smiles
CC1=CC(=C(C2=C1C(=O)OC3=C(O2)C4=C(C(=C3C)O)C(=O)OC4O)C=O)O
Cas Id
Ob Score
Mol Logp
2.0133
Num H Donors
3
Num H Acceptors
9
Num Rotatable Bonds
1
Drug Likeness
0.3890
Polar Surface Area
Molecular Volume
Alogp

Names

Preferred names, aliases, and source labels retained in the final schema.

Name
Norstictic acid
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Norstictic acid
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Norstictic acid
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
金丝刷
Role
TCM_name
Source
TCMBank
Preferred
No
Name
JIN SI SHUA
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Gold-wire Brush*
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
1,3-Dihydro-1,4,10-trihydroxy-5,8-dimethyl-3,7-dioxo-7H-isobenzofuro(4,5-b)(1,4)benzodioxepin-11-carboxaldehyde
Role
alias
Source
HERB_v2
Preferred
No
Name
1,3-Dihydro-1,4,10-trihydroxy-5,8-dimethyl-3,7-dioxo-7H-isobenzofuro(4,5-b)(1,4)benzodioxepin-11-carboxaldehyde
Role
alias
Source
itcmdb_public
Preferred
No
Name
5,13,17-trihydroxy-7,12-dimethyl-9,15-dioxo-2,10,16-trioxatetracyclo[9.7.0.03,8.014,18]octadeca-1(11),3(8),4,6,12,14(18)-hexaene-4-carbaldehyde
Role
alias
Source
itcmdb_public
Preferred
No
Name
5,13,17-trihydroxy-7,12-dimethyl-9,15-dioxo-2,10,16-trioxatetracyclo[9.7.0.03,8.014,18]octadeca-1(11),3(8),4,6,12,14(18)-hexaene-4-carbaldehyde
Role
alias
Source
HERB_v2
Preferred
No
Name
571-67-5
Role
alias
Source
HERB_v2
Preferred
No
Name
571-67-5
Role
alias
Source
itcmdb_public
Preferred
No
Name
7H-Isobenzofuro(4,5-b)(1,4)benzodioxepin-11-carboxaldehyde, 1,3-dihydro-1,4,10-trihydroxy-5,8-dimethyl-3,7-dioxo-
Role
alias
Source
HERB_v2
Preferred
No
Name
7H-Isobenzofuro[4,5-b][1,4]benzodioxepin-11-carboxaldehyde, 1,3-dihydro-1,4,10-trihydroxy-5,8-dimethyl-3,7-dioxo-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Bryopogonic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
Bryopogonic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
KBio3_001409
Role
alias
Source
itcmdb_public
Preferred
No
Name
KBio3_001409
Role
alias
Source
HERB_v2
Preferred
No
Name
Norsticticacid
Role
alias
Source
itcmdb_public
Preferred
No
Name
Norsticticacid
Role
alias
Source
HERB_v2
Preferred
No
Name
norsticticacid
Role
alias
Source
TCMBank
Preferred
No

Aliases

Additional names normalized into the restored final schema.

金丝刷JIN SI SHUAGold-wire Brush*1,3-Dihydro-1,4,10-trihydroxy-5,8-dimethyl-3,7-dioxo-7H-isobenzofuro(4,5-b)(1,4)benzodioxepin-11-carboxaldehyde5,13,17-trihydroxy-7,12-dimethyl-9,15-dioxo-2,10,16-trioxatetracyclo[9.7.0.03,8.014,18]octadeca-1(11),3(8),4,6,12,14(18)-hexaene-4-carbaldehyde571-67-57H-Isobenzofuro(4,5-b)(1,4)benzodioxepin-11-carboxaldehyde, 1,3-dihydro-1,4,10-trihydroxy-5,8-dimethyl-3,7-dioxo-7H-Isobenzofuro[4,5-b][1,4]benzodioxepin-11-carboxaldehyde, 1,3-dihydro-1,4,10-trihydroxy-5,8-dimethyl-3,7-dioxo-Bryopogonic acidKBio3_001409Norsticticacid

Cross References

Trusted external identifiers retained for this final record.

Herb
HBIN037386
Npass
NPC240887
Tcmid
1578933296
Pub Chem
5379540
Tcmbank
TCMBANKIN043918

Attributes

Merged source attributes and domain-specific metadata.

In Ch I
InChI=1S/C18H12O9/c1-5-3-8(20)7(4-19)14-9(5)16(22)26-13-6(2)12(21)10-11(15(13)25-14)18(24)27-17(10)23/h3-4,18,20-21,24H,1-2H3
Mol Wt
372.2850000000001
Mol Log P
2.013340000000001
In Ch Ikey
IEVVSJFLBYOUCJ-UHFFFAOYSA-N
Tcm Name
金丝刷
Tcm Name2
JIN SI SHUA
Mol2 Path
/TCM_database/2007_3d_all/15798.mol2
Reference
660, 1521
Num Hdonors
3
Tcm Name En
Gold-wire Brush*
Drug Likeness
0.389
Num Hacceptors
9
Isomeric Smiles
CC1=CC(=C(C2=C1C(=O)OC3=C(O2)C4=C(C(=C3C)O)C(=O)OC4O)C=O)O
Canonical Smiles
CC1=CC(=C(C2=C1C(=O)OC3=C(O2)C4=C(C(=C3C)O)C(=O)OC4O)C=O)O
Herb Alias Names
Bryopogonic acid571-67-55,13,17-trihydroxy-7,12-dimethyl-9,15-dioxo-2,10,16-trioxatetracyclo[9.7.0.03,8.014,18]octadeca-1(11),3(8),4,6,12,14(18)-hexaene-4-carbaldehyde1,3-Dihydro-1,4,10-trihydroxy-5,8-dimethyl-3,7-dioxo-7H-isobenzofuro(4,5-b)(1,4)benzodioxepin-11-carboxaldehyde7H-Isobenzofuro(4,5-b)(1,4)benzodioxepin-11-carboxaldehyde, 1,3-dihydro-1,4,10-trihydroxy-5,8-dimethyl-3,7-dioxo-7H-Isobenzofuro[4,5-b][1,4]benzodioxepin-11-carboxaldehyde, 1,3-dihydro-1,4,10-trihydroxy-5,8-dimethyl-3,7-dioxo-NorsticticacidKBio3_0014091,3-Dihydro-1,4,10-trihydroxy-5,8-dimethyl-3,7-dioxo-7H-isobenzofuro[4,5-b][1,4]benzodioxepin-11-carboxaldehyde
Molecular Weight
372.3 g/mol
Molecular Formula
C18H12O9
Num Rotatable Bonds
1