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
- 14963
- Core Entity Id
- 19796
- Source Entity Count
- 1
- Preferred Name
- Cochinolide
- Name En
- Pubchem Id
- 10332730
- Smiles Canonical
- C1CC2=C(C(=O)OC2=CC1O)C(C3=CC=CC=C3)O
- Molecular Formula
- C15H14O4
- Molecular Weight
- 258.2730
- Inchikey
- BSEKYAJQRZECLG-XLLULAGJSA-N
- Inchi
- InChI=1S/C15H14O4/c16-10-6-7-11-12(8-10)19-15(18)13(11)14(17)9-4-2-1-3-5-9/h1-5,8,10,14,16-17H,6-7H2/t10-,14?/m0/s1
- Isomeric Smiles
- C1CC2=C(C(=O)OC2=C[C@H]1O)C(C3=CC=CC=C3)O
- Cas Id
- Ob Score
- Mol Logp
- 1.6120
- Num H Donors
- 2
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.7910
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Cochinolide
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Cochinolide
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Cochinolide
Role
preferred
Source
TCMBank
Preferred
Yes
Name
天料木
Role
TCM_name
Source
TCMBank
Preferred
No
Name
TIAN LIAO MU
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Homalium
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
(6S)-6-hydroxy-3-[hydroxy(phenyl)methyl]-5,6-dihydro-4H-1-benzofuran-2-one
Role
alias
Source
HERB_v2
Preferred
No
Name
(6S)-6-hydroxy-3-[hydroxy(phenyl)methyl]-5,6-dihydro-4H-1-benzofuran-2-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
2(4H)-Benzofuranone, 5,6-dihydro-6-hydroxy-3-(hydroxyphenylmethyl)-, ()-
Role
alias
Source
itcmdb_public
Preferred
No
Name
2(4H)-Benzofuranone, 5,6-dihydro-6-hydroxy-3-(hydroxyphenylmethyl)-, ()-
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL448078
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL448078
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
天料木TIAN LIAO MUHomalium(6S)-6-hydroxy-3-[hydroxy(phenyl)methyl]-5,6-dihydro-4H-1-benzofuran-2-one2(4H)-Benzofuranone, 5,6-dihydro-6-hydroxy-3-(hydroxyphenylmethyl)-, ()-CHEMBL448078
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN021205
Npass
NPC87069
Tcmid
3876
Pub Chem
10332730
Tcmbank
TCMBANKIN044211
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C15H14O4/c16-10-6-7-11-12(8-10)19-15(18)13(11)14(17)9-4-2-1-3-5-9/h1-5,8,10,14,16-17H,6-7H2/t10-,14?/m0/s1
Mol Wt
258.273
Mol Log P
1.612
In Ch Ikey
BSEKYAJQRZECLG-XLLULAGJSA-N
Tcm Name
天料木
Tcm Name2
TIAN LIAO MU
Mol2 Path
/TCM_database/2007_3d_all/03876.mol2
Reference
4742
Num Hdonors
2
Tcm Name En
Homalium
Drug Likeness
0.791
Num Hacceptors
4
Isomeric Smiles
C1CC2=C(C(=O)OC2=C[C@H]1O)C(C3=CC=CC=C3)O
Canonical Smiles
C1CC2=C(C(=O)OC2=CC1O)C(C3=CC=CC=C3)O
Herb Alias Names
(6S)-6-hydroxy-3-[hydroxy(phenyl)methyl]-5,6-dihydro-4H-1-benzofuran-2-one(6S)-6-hydroxy-3-(hydroxy(phenyl)methyl)-5,6-dihydro-4H-1-benzofuran-2-oneCHEMBL4480782(4H)-Benzofuranone, 5,6-dihydro-6-hydroxy-3-(hydroxyphenylmethyl)-, ()-
Molecular Weight
258.27 g/mol
Molecular Formula
C15H14O4
Num Rotatable Bonds
2