Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 28575
- Core Entity Id
- 34947
- Source Entity Count
- 1
- Preferred Name
- Onysilin
- Name En
- Pubchem Id
- 12041831
- Smiles Canonical
- COC1=C(C(=C2C(=O)CC(OC2=C1)C3=CC=CC=C3)O)OC
- Molecular Formula
- C17H16O5
- Molecular Weight
- 300.3100
- Inchikey
- FAUVORGACLCWKX-LBPRGKRZSA-N
- Inchi
- InChI=1S/C17H16O5/c1-20-14-9-13-15(16(19)17(14)21-2)11(18)8-12(22-13)10-6-4-3-5-7-10/h3-7,9,12,19H,8H2,1-2H3/t12-/m0/s1
- Isomeric Smiles
- COC1=C(C(=C2C(=O)C[C@H](OC2=C1)C3=CC=CC=C3)O)OC
- Cas Id
- Ob Score
- Mol Logp
- 3.1159
- Num H Donors
- 1
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.9430
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Onysilin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Onysilin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
onysilin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(2S)-5-Hydroxy-6,7-dimethoxy-2-phenyl-2,3-dihydrochromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
(2S)-5-Hydroxy-6,7-dimethoxy-2-phenyl-2,3-dihydrochromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
(S)-5-Hydroxy-6,7-dimethoxy-2-phenylchroman-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
(S)-5-Hydroxy-6,7-dimethoxy-2-phenylchroman-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
2,3-dihydro-5-hydroxy-6,7-dimethoxy-2-phenyl-4H-1-benzopyran-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
2,3-dihydro-5-hydroxy-6,7-dimethoxy-2-phenyl-4H-1-benzopyran-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
73695-94-0
Role
alias
Source
itcmdb_public
Preferred
No
Name
73695-94-0
Role
alias
Source
HERB_v2
Preferred
No
Name
AKOS040734439
Role
alias
Source
HERB_v2
Preferred
No
Name
AKOS040734439
Role
alias
Source
itcmdb_public
Preferred
No
Name
FS-7740
Role
alias
Source
itcmdb_public
Preferred
No
Name
FS-7740
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(2S)-5-Hydroxy-6,7-dimethoxy-2-phenyl-2,3-dihydrochromen-4-one(S)-5-Hydroxy-6,7-dimethoxy-2-phenylchroman-4-one2,3-dihydro-5-hydroxy-6,7-dimethoxy-2-phenyl-4H-1-benzopyran-4-one73695-94-0AKOS040734439FS-7740
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN038177
Npass
NPC254453
Tcmid
33020
Pub Chem
1204183142608095
Tcmbank
TCMBANKIN030532
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C17H16O5/c1-20-14-9-13-15(16(19)17(14)21-2)11(18)8-12(22-13)10-6-4-3-5-7-10/h3-7,9,12,19H,8H2,1-2H3/t12-/m0/s1
Mol Wt
300.3100000000001
Smiles
COC1=C(C(=C2C(=O)CC(OC2=C1)C3=CC=CC=C3)O)OC
Mol Log P
3.115900000000002
In Ch Ikey
FAUVORGACLCWKX-LBPRGKRZSA-N
Num Hdonors
1
Drug Likeness
0.943
Num Hacceptors
5
Isomeric Smiles
COC1=C(C(=C2C(=O)C[C@H](OC2=C1)C3=CC=CC=C3)O)OC
Canonical Smiles
COC1=C(C(=C2C(=O)CC(OC2=C1)C3=CC=CC=C3)O)OC
Herb Alias Names
73695-94-0(2S)-5-Hydroxy-6,7-dimethoxy-2-phenyl-2,3-dihydrochromen-4-oneAKOS040734439FS-7740(S)-5-Hydroxy-6,7-dimethoxy-2-phenylchroman-4-one2,3-dihydro-5-hydroxy-6,7-dimethoxy-2-phenyl-4H-1-benzopyran-4-one
Molecular Weight
300.3 g/mol
Molecular Formula
C17H16O5
Molecular Formula
C17H16O5
Num Rotatable Bonds
3