Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Target: 1Links: 4
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 7404
- Core Entity Id
- 11412
- Source Entity Count
- 1
- Preferred Name
- 6,8-diprenylumbelliferone
- Name En
- Pubchem Id
- 14769401
- Smiles Canonical
- CC(=CCC1=C(C(=C2C(=C1)C=CC(=O)O2)CC=C(C)C)O)C
- Molecular Formula
- C19H22O3
- Molecular Weight
- 298.3820
- Inchikey
- GSHLMLPFDNHBHO-UHFFFAOYSA-N
- Inchi
- InChI=1S/C19H22O3/c1-12(2)5-7-14-11-15-8-10-17(20)22-19(15)16(18(14)21)9-6-13(3)4/h5-6,8,10-11,21H,7,9H2,1-4H3
- Isomeric Smiles
- CC(=CCC1=C(C(=C2C(=C1)C=CC(=O)O2)CC=C(C)C)O)C
- Cas Id
- Ob Score
- Mol Logp
- 4.5160
- Num H Donors
- 1
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.6670
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
6,8-Diprenylumbelliferone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
6,8-Diprenylumbelliferone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
6,8-diprenylumbelliferone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
6,8-diprenylumbelliferone
Role
preferred
Source
itcmdb_public
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
7-hydroxy-6,8-bis(3-methylbut-2-enyl)chromen-2-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
7-hydroxy-6,8-bis(3-methylbut-2-enyl)chromen-2-one
Role
alias
Source
HERB_v2
Preferred
No
Name
BDBM50591772
Role
alias
Source
itcmdb_public
Preferred
No
Name
BDBM50591772
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL5207605
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL5207605
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
橙子CHENG ZIFragrant Citrus7-hydroxy-6,8-bis(3-methylbut-2-enyl)chromen-2-oneBDBM50591772CHEMBL5207605
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN012128
Npass
NPC294887
Tcmid
6497
Pub Chem
14769401
Tcmbank
TCMBANKIN046576
Etcm Ingredient
6,8-Diprenylumbelliferone
Itcmdb Generated
ITX-INGREDIENT-70E820926BB4
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C19H22O3/c1-12(2)5-7-14-11-15-8-10-17(20)22-19(15)16(18(14)21)9-6-13(3)4/h5-6,8,10-11,21H,7,9H2,1-4H3
Mol Wt
298.382
Mol Log P
4.516000000000004
In Ch Ikey
GSHLMLPFDNHBHO-UHFFFAOYSA-N
Tcm Name
橙子
Tcm Name2
CHENG ZI
Mol2 Path
/TCM_database/2007_3d_all/06498.mol2
Reference
5048
Num Hdonors
1
Tcm Name En
Fragrant Citrus
Drug Likeness
0.667
Num Hacceptors
3
Isomeric Smiles
CC(=CCC1=C(C(=C2C(=C1)C=CC(=O)O2)CC=C(C)C)O)C
Canonical Smiles
CC(=CCC1=C(C(=C2C(=C1)C=CC(=O)O2)CC=C(C)C)O)C
Herb Alias Names
CHEMBL5207605BDBM505917727-hydroxy-6,8-bis(3-methylbut-2-enyl)chromen-2-one
Molecular Weight
298.160
Molecular Formula
C19H22O3
Molecular Formula
C19H22O3
Num Rotatable Bonds
4
Fda Maximum Daily Dose (Fdamdd)
0.091
Quantitative Estimate Of Drug Likeness（Qed）
0.667