Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 4Ingredient: 1Links: 4
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 30465
- Core Entity Id
- 37049
- Source Entity Count
- 1
- Preferred Name
- Ponfolin
- Name En
- Pubchem Id
- 174673
- Smiles Canonical
- CC1(C=CC2=C(C3=C(C(=C2O1)C(C)(C)C=C)OC(=O)C=C3)OC(C)(C)C=C)C
- Molecular Formula
- C24H28O4
- Molecular Weight
- 380.4840
- Inchikey
- JUUQZEDESBYHJJ-UHFFFAOYSA-N
- Inchi
- InChI=1S/C24H28O4/c1-9-22(3,4)18-20-15(11-12-17(25)26-20)19(27-23(5,6)10-2)16-13-14-24(7,8)28-21(16)18/h9-14H,1-2H2,3-8H3
- Isomeric Smiles
- CC1(C=CC2=C(C3=C(C(=C2O1)C(C)(C)C=C)OC(=O)C=C3)OC(C)(C)C=C)C
- Cas Id
- 88223-89-6
- Ob Score
- Mol Logp
- 5.7842
- Num H Donors
- 0
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 5
- Drug Likeness
- 0.4870
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Ponfolin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Ponfolin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Ponfolin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Ponfolin
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
橙子
Role
TCM_name
Source
TCMBank
Preferred
No
Name
CHENG ZI
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Fragrant Citrus
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
10-(1,1-Dimethyl-2-propenyl)-5-((1,1-dimethyl-2-propenyl)oxy)-8,8-dimethyl-2H,8H-benzo(1,2-b:5,4-b')dipyran-2-one
Role
alias
Source
HERB_v2
Preferred
No
Name
10-(1,1-Dimethyl-2-propenyl)-5-((1,1-dimethyl-2-propenyl)oxy)-8,8-dimethyl-2H,8H-benzo(1,2-b:5,4-b')dipyran-2-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
2,2-dimethyl-10-(2-methylbut-3-en-2-yl)-5-(2-methylbut-3-en-2-yloxy)pyrano[3,2-g]chromen-8-one
Role
alias
Source
HERB_v2
Preferred
No
Name
2,2-dimethyl-10-(2-methylbut-3-en-2-yl)-5-(2-methylbut-3-en-2-yloxy)pyrano[3,2-g]chromen-8-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
2H,8H-Benzo(1,2-b:5,4-b')dipyran-2-one, 10-(1,1-dimethyl-2-propenyl)-5-((1,1-dimethyl-2-propenyl)oxy)-8,8-dimethyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
2H,8H-Benzo(1,2-b:5,4-b')dipyran-2-one, 10-(1,1-dimethyl-2-propenyl)-5-((1,1-dimethyl-2-propenyl)oxy)-8,8-dimethyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
88223-89-6
Role
alias
Source
itcmdb_public
Preferred
No
Name
88223-89-6
Role
alias
Source
HERB_v2
Preferred
No
Name
C24-H28-O4
Role
alias
Source
itcmdb_public
Preferred
No
Name
C24-H28-O4
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL154850
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL154850
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID10236919
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID10236919
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
橙子CHENG ZIFragrant Citrus10-(1,1-Dimethyl-2-propenyl)-5-((1,1-dimethyl-2-propenyl)oxy)-8,8-dimethyl-2H,8H-benzo(1,2-b:5,4-b')dipyran-2-one2,2-dimethyl-10-(2-methylbut-3-en-2-yl)-5-(2-methylbut-3-en-2-yloxy)pyrano[3,2-g]chromen-8-one2H,8H-Benzo(1,2-b:5,4-b')dipyran-2-one, 10-(1,1-dimethyl-2-propenyl)-5-((1,1-dimethyl-2-propenyl)oxy)-8,8-dimethyl-88223-89-6C24-H28-O4CHEMBL154850DTXSID10236919
Cross References
Trusted external identifiers retained for this final record.
Cas
88223-89-6
Herb
HBIN040542
Npass
NPC163248
Tcmid
17692
Tcm Id
1681
Pub Chem
174673
Tcmbank
TCMBANKIN043165
Etcm Ingredient
Ponfolin
Itcmdb Generated
ITX-INGREDIENT-1DFB3E783C0F
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C24H28O4/c1-9-22(3,4)18-20-15(11-12-17(25)26-20)19(27-23(5,6)10-2)16-13-14-24(7,8)28-21(16)18/h9-14H,1-2H2,3-8H3
Mol Wt
380.4840000000002
Cas Id
88223-89-6
Mol Log P
5.784200000000006
In Ch Ikey
JUUQZEDESBYHJJ-UHFFFAOYSA-N
Tcm Name
橙子
Tcm Name2
CHENG ZI
Mol2 Path
/TCM_database/2007_3d_all/17706.mol2
Reference
5048
Num Hdonors
0
Tcm Name En
Fragrant Citrus
Drug Likeness
0.487
Num Hacceptors
4
Isomeric Smiles
CC1(C=CC2=C(C3=C(C(=C2O1)C(C)(C)C=C)OC(=O)C=C3)OC(C)(C)C=C)C
Canonical Smiles
CC1(C=CC2=C(C3=C(C(=C2O1)C(C)(C)C=C)OC(=O)C=C3)OC(C)(C)C=C)C
Herb Alias Names
88223-89-62,2-dimethyl-10-(2-methylbut-3-en-2-yl)-5-(2-methylbut-3-en-2-yloxy)pyrano[3,2-g]chromen-8-oneC24-H28-O4CHEMBL154850DTXSID1023691910-(1,1-Dimethyl-2-propenyl)-5-((1,1-dimethyl-2-propenyl)oxy)-8,8-dimethyl-2H,8H-benzo(1,2-b:5,4-b')dipyran-2-one2H,8H-Benzo(1,2-b:5,4-b')dipyran-2-one, 10-(1,1-dimethyl-2-propenyl)-5-((1,1-dimethyl-2-propenyl)oxy)-8,8-dimethyl-
Molecular Weight
380.200
Molecular Weight
380.48
Molecular Formula
C24H28O4
Molecular Formula
C24H28O4
Num Rotatable Bonds
5
Fda Maximum Daily Dose (Fdamdd)
0.630
Quantitative Estimate Of Drug Likeness（Qed）
0.487