Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
Click a node to open it in a new tab
Herb: 2Ingredient: 1Reference: 1Target: 1Links: 5
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 8851
- Core Entity Id
- 13005
- Source Entity Count
- 1
- Preferred Name
- 8-geranyl-7-hydroxycoumarin
- Name En
- Pubchem Id
- 71694409
- Smiles Canonical
- CC(=CCCC(=CCC1=C(C=CC2=C1OC(=O)C=C2)O)C)C
- Molecular Formula
- C19H22O3
- Molecular Weight
- 298.3820
- Inchikey
- QPMKRRUDQIKGNH-VGOFMYFVSA-N
- Inchi
- InChI=1S/C19H22O3/c1-13(2)5-4-6-14(3)7-10-16-17(20)11-8-15-9-12-18(21)22-19(15)16/h5,7-9,11-12,20H,4,6,10H2,1-3H3/b14-7+
- Isomeric Smiles
- CC(=CCC/C(=C/CC1=C(C=CC2=C1OC(=O)C=C2)O)/C)C
- Cas Id
- Ob Score
- Mol Logp
- 4.7338
- Num H Donors
- 1
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 5
- Drug Likeness
- 0.6410
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
8-Geranyl-7-hydroxycoumarin
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
8-geranyl-7-hydroxycoumarin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
8-geranyl-7-hydroxycoumarin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
8-geranyl-7-hydroxycoumarin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
23660-05-1
Role
alias
Source
itcmdb_public
Preferred
No
Name
23660-05-1
Role
alias
Source
HERB_v2
Preferred
No
Name
2H-1-Benzopyran-2-one, 8-[(2E)-3,7-dimethyl-2,6-octadien-1-yl]-7-hydroxy-
Role
alias
Source
itcmdb_public
Preferred
No
Name
2H-1-Benzopyran-2-one, 8-[(2E)-3,7-dimethyl-2,6-octadien-1-yl]-7-hydroxy-
Role
alias
Source
HERB_v2
Preferred
No
Name
8-[(2E)-3,7-dimethylocta-2,6-dienyl]-7-hydroxychromen-2-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
8-[(2E)-3,7-dimethylocta-2,6-dienyl]-7-hydroxychromen-2-one
Role
alias
Source
HERB_v2
Preferred
No
Name
8-geranylumbelliferone
Role
alias
Source
HERB_v2
Preferred
No
Name
8-geranylumbelliferone
Role
alias
Source
itcmdb_public
Preferred
No
Name
AKOS040735253
Role
alias
Source
HERB_v2
Preferred
No
Name
AKOS040735253
Role
alias
Source
itcmdb_public
Preferred
No
Name
C21495
Role
alias
Source
HERB_v2
Preferred
No
Name
C21495
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:134358
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:134358
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID201151248
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID201151248
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL24075636
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL24075636
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
23660-05-12H-1-Benzopyran-2-one, 8-[(2E)-3,7-dimethyl-2,6-octadien-1-yl]-7-hydroxy-8-[(2E)-3,7-dimethylocta-2,6-dienyl]-7-hydroxychromen-2-one8-geranylumbelliferoneAKOS040735253C21495CHEBI:134358DTXSID201151248SCHEMBL24075636
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN013734
Npass
NPC246694
Tcmid
8319
Pub Chem
71694409
Tcmbank
TCMBANKIN037159
Etcm Ingredient
8-Geranyl-7-hydroxycoumarin
Itcmdb Generated
ITX-INGREDIENT-46AEC6255B1E
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C19H22O3/c1-13(2)5-4-6-14(3)7-10-16-17(20)11-8-15-9-12-18(21)22-19(15)16/h5,7-9,11-12,20H,4,6,10H2,1-3H3/b14-7+
Mol Wt
298.3820000000001
Smiles
CC(=CCCC(=CCC1=C(C=CC2=C1OC(=O)C=C2)O)C)C
Mol Log P
4.733800000000004
In Ch Ikey
QPMKRRUDQIKGNH-VGOFMYFVSA-N
Mol2 Path
/TCM_database/2007_3d_all/08320.mol2
Reference
3075
Num Hdonors
1
Drug Likeness
0.641
Num Hacceptors
3
Isomeric Smiles
CC(=CCC/C(=C/CC1=C(C=CC2=C1OC(=O)C=C2)O)/C)C
Canonical Smiles
CC(=CCCC(=CCC1=C(C=CC2=C1OC(=O)C=C2)O)C)C
Herb Alias Names
8-geranylumbelliferone23660-05-18-[(2E)-3,7-dimethylocta-2,6-dienyl]-7-hydroxychromen-2-one2H-1-Benzopyran-2-one, 8-[(2E)-3,7-dimethyl-2,6-octadien-1-yl]-7-hydroxy-SCHEMBL24075636CHEBI:134358DTXSID201151248AKOS040735253C21495
Molecular Weight
298.160
Molecular Weight
298.4 g/mol
Molecular Formula
C19H22O3
Molecular Formula
C19H22O3
Molecular Formula
C19H22O3
Num Rotatable Bonds
5
Fda Maximum Daily Dose (Fdamdd)
0.048
Quantitative Estimate Of Drug Likeness（Qed）
0.641