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
- 13496
- Core Entity Id
- 18170
- Source Entity Count
- 1
- Preferred Name
- Calycosin c
- Name En
- Pubchem Id
- 9996710
- Smiles Canonical
- COC1=CC(=C2C(=C1)OC(=C2C=O)C3=C(C(=C(C=C3)O)O)OC)O
- Molecular Formula
- C17H14O7
- Molecular Weight
- 330.2920
- Inchikey
- VUKCFTVODWLXPK-UHFFFAOYSA-N
- Inchi
- InChI=1S/C17H14O7/c1-22-8-5-12(20)14-10(7-18)16(24-13(14)6-8)9-3-4-11(19)15(21)17(9)23-2/h3-7,19-21H,1-2H3
- Isomeric Smiles
- COC1=CC(=C2C(=C1)OC(=C2C=O)C3=C(C(=C(C=C3)O)O)OC)O
- Cas Id
- Ob Score
- Mol Logp
- 3.0463
- Num H Donors
- 3
- Num H Acceptors
- 7
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.4980
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Calycosin C
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Calycosin c
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Calycosin c
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
无刺柯桠树
Role
TCM_name
Source
TCMBank
Preferred
No
Name
WU CI KE YA SHU
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Angelin-tree
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
2-(3,4-dihydroxy-2-methoxyphenyl)-4-hydroxy-6-methoxy-1-benzofuran-3-carbaldehyde
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-(3,4-dihydroxy-2-methoxyphenyl)-4-hydroxy-6-methoxy-1-benzofuran-3-carbaldehyde
Role
alias
Source
HERB_v2
Preferred
No
Name
Andinermal C
Role
alias
Source
itcmdb_public
Preferred
No
Name
Andinermal C
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
无刺柯桠树WU CI KE YA SHUAngelin-tree2-(3,4-dihydroxy-2-methoxyphenyl)-4-hydroxy-6-methoxy-1-benzofuran-3-carbaldehydeAndinermal C
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN019432
Tcmid
3007
Pub Chem
9996710
Tcmbank
TCMBANKIN037389
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C17H14O7/c1-22-8-5-12(20)14-10(7-18)16(24-13(14)6-8)9-3-4-11(19)15(21)17(9)23-2/h3-7,19-21H,1-2H3
Mol Wt
330.292
Mol Log P
3.046300000000003
In Ch Ikey
VUKCFTVODWLXPK-UHFFFAOYSA-N
Tcm Name
无刺柯桠树
Tcm Name2
WU CI KE YA SHU
Mol2 Path
/TCM_database/2007_3d_all/03007.mol2
Reference
5208
Num Hdonors
3
Tcm Name En
Angelin-tree
Drug Likeness
0.498
Num Hacceptors
7
Isomeric Smiles
COC1=CC(=C2C(=C1)OC(=C2C=O)C3=C(C(=C(C=C3)O)O)OC)O
Canonical Smiles
COC1=CC(=C2C(=C1)OC(=C2C=O)C3=C(C(=C(C=C3)O)O)OC)O
Herb Alias Names
Andinermal C2-(3,4-dihydroxy-2-methoxyphenyl)-4-hydroxy-6-methoxy-1-benzofuran-3-carbaldehyde
Molecular Formula
C17H14O7
Num Rotatable Bonds
4