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: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 6902
- Core Entity Id
- 10852
- Source Entity Count
- 1
- Preferred Name
- 5-geranyloxy-7-hydroxycoumarin
- Name En
- Pubchem Id
- 16638035
- Smiles Canonical
- CC(=CCCC(=CCC1=C2C=CC(=O)OC2=CC(=C1)O)C)C
- Molecular Formula
- C19H22O3
- Molecular Weight
- 298.3820
- Inchikey
- QISMITOEYFWQPR-VGOFMYFVSA-N
- Inchi
- InChI=1S/C19H22O3/c1-13(2)5-4-6-14(3)7-8-15-11-16(20)12-18-17(15)9-10-19(21)22-18/h5,7,9-12,20H,4,6,8H2,1-3H3/b14-7+
- Isomeric Smiles
- CC(=CCC/C(=C/CC1=C2C=CC(=O)OC2=CC(=C1)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
5-geranyloxy-7-hydroxycoumarin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
5-geranyloxy-7-hydroxycoumarin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
5-geranyloxy-7-hydroxycoumarin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
AKOS000277679
Role
alias
Source
HERB_v2
Preferred
No
Name
AKOS000277679
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
AKOS000277679
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN011548
Tcmid
8323
Pub Chem
16638035
Tcmbank
TCMBANKIN040812
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C19H22O3/c1-13(2)5-4-6-14(3)7-8-15-11-16(20)12-18-17(15)9-10-19(21)22-18/h5,7,9-12,20H,4,6,8H2,1-3H3/b14-7+
Mol Wt
298.3820000000001
Smiles
CC(=CCCC(=CCC1=C2C=CC(=O)OC2=CC(=C1)O)C)C
Mol Log P
4.733800000000004
In Ch Ikey
QISMITOEYFWQPR-VGOFMYFVSA-N
Mol2 Path
/TCM_database/2007_3d_all/08324.mol2
Reference
5255
Num Hdonors
1
Drug Likeness
0.641
Num Hacceptors
3
Isomeric Smiles
CC(=CCC/C(=C/CC1=C2C=CC(=O)OC2=CC(=C1)O)/C)C
Canonical Smiles
CC(=CCCC(=CCC1=C2C=CC(=O)OC2=CC(=C1)O)C)C
Herb Alias Names
AKOS000277679
Molecular Weight
298.4 g/mol
Molecular Formula
C19H22O3
Molecular Formula
C19H22O3
Num Rotatable Bonds
5