Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Target: 12Links: 14
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 33351
- Core Entity Id
- 40262
- Source Entity Count
- 1
- Preferred Name
- Silydianin
- Name En
- Pubchem Id
- 11982272
- Smiles Canonical
- COC1=C(C=CC(=C1)C2C3COC4(C3C(=CC2C4=O)C5C(C(=O)C6=C(C=C(C=C6O5)O)O)O)O)O
- Molecular Formula
- C25H22O10
- Molecular Weight
- 482.4410
- Inchikey
- CYGIJEJDYJOUAN-JSGXPVSSSA-N
- Inchi
- InChI=1S/C25H22O10/c1-33-16-4-9(2-3-14(16)27)18-11-7-12(20-13(18)8-34-25(20,32)24(11)31)23-22(30)21(29)19-15(28)5-10(26)6-17(19)35-23/h2-7,11,13,18,20,22-23,26-28,30,32H,8H2,1H3/t11-,13-,18+,20+,22+,23-,25-/m1/s1
- Isomeric Smiles
- COC1=C(C=CC(=C1)[C@@H]2[C@H]3CO[C@@]4([C@H]3C(=C[C@H]2C4=O)[C@@H]5[C@H](C(=O)C6=C(C=C(C=C6O5)O)O)O)O)O
- Cas Id
- 29782-68-1
- Ob Score
- 59.6540
- Mol Logp
- 0.9905
- Num H Donors
- 5
- Num H Acceptors
- 10
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.3990
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Silydianin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Silydianin
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Silydianin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Silydianin
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
silydianin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(2R,3R)-3,5,7-trihydroxy-2-[hydroxy-(4-hydroxy-3-methoxy-phenyl)[?]yl]chroman-4-one
Role
alias
Source
TCMBank
Preferred
No
Name
29782-68-1
Role
alias
Source
HERB_v2
Preferred
No
Name
29782-68-1
Role
alias
Source
itcmdb_public
Preferred
No
Name
Silidianin
Role
alias
Source
itcmdb_public
Preferred
No
Name
Silidianin
Role
alias
Source
HERB_v2
Preferred
No
Name
Silidianin [INN]
Role
alias
Source
itcmdb_public
Preferred
No
Name
Silidianin [INN]
Role
alias
Source
HERB_v2
Preferred
No
Name
Silidianina
Role
alias
Source
itcmdb_public
Preferred
No
Name
Silidianina
Role
alias
Source
HERB_v2
Preferred
No
Name
Silidianina [INN-Spanish]
Role
alias
Source
itcmdb_public
Preferred
No
Name
Silidianina [INN-Spanish]
Role
alias
Source
HERB_v2
Preferred
No
Name
Silidianine
Role
alias
Source
HERB_v2
Preferred
No
Name
Silidianine
Role
alias
Source
itcmdb_public
Preferred
No
Name
Silidianine [INN-French]
Role
alias
Source
itcmdb_public
Preferred
No
Name
Silidianine [INN-French]
Role
alias
Source
HERB_v2
Preferred
No
Name
Silidianinum
Role
alias
Source
itcmdb_public
Preferred
No
Name
Silidianinum
Role
alias
Source
HERB_v2
Preferred
No
Name
Silidianinum [INN-Latin]
Role
alias
Source
itcmdb_public
Preferred
No
Name
Silidianinum [INN-Latin]
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(2R,3R)-3,5,7-trihydroxy-2-[hydroxy-(4-hydroxy-3-methoxy-phenyl)[?]yl]chroman-4-one29782-68-1SilidianinSilidianin [INN]SilidianinaSilidianina [INN-Spanish]SilidianineSilidianine [INN-French]SilidianinumSilidianinum [INN-Latin]
Cross References
Trusted external identifiers retained for this final record.
Cas
29782-68-1
Herb
HBIN044037
Tcmid
19882
Tcmsp
MOL007451
Sym Map
SMIT00694
Tcm Id
1362913630955
Pub Chem
11982272124427881244278913468854513779548414615851720056308247212723033957532131198054421
Tcmbank
TCMBANKIN013845
Etcm Ingredient
Silydianin
Itcmdb Generated
ITX-INGREDIENT-E85908FFEA46
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C25H22O10/c1-33-16-4-9(2-3-14(16)27)18-11-7-12(20-13(18)8-34-25(20,32)24(11)31)23-22(30)21(29)19-15(28)5-10(26)6-17(19)35-23/h2-7,11,13,18,20,22-23,26-28,30,32H,8H2,1H3/t11-,13-,18+,20+,22+,23-,25-/m1/s1
Mol Wt
482.4410000000001
Cas Id
29782-68-1
Smiles
COC1=C(C=CC(=C1)C2C3COC4(C3C(=CC2C4=O)C5C(C(=O)C6=C(C=C(C=C6O5)O)O)O)O)O
Mol Log P
0.9904999999999995
Version
v1,v2
In Ch Ikey
CYGIJEJDYJOUAN-JSGXPVSSSA-N
Ob Score
59.65459.65405959.65405908
Suppress
0
Num Hdonors
5
Drug Likeness
0.399
Num Hacceptors
10
Isomeric Smiles
COC1=C(C=CC(=C1)[C@@H]2[C@H]3CO[C@@]4([C@H]3C(=C[C@H]2C4=O)[C@@H]5[C@H](C(=O)C6=C(C=C(C=C6O5)O)O)O)O)O
Molecule Weight
482.47
Canonical Smiles
COC1=C(C=CC(=C1)C2C3COC4(C3C(=CC2C4=O)C5C(C(=O)C6=C(C=C(C=C6O5)O)O)O)O)O
Herb Alias Names
Silidianin29782-68-1SilidianineSilidianin [INN]SilidianinaSilidianinumSilidianine [INN-French]Silidianinum [INN-Latin]Silidianina [INN-Spanish]
Molecular Weight
494.120
Molecular Weight
482.44
Molecule Formula
C25H22O10
Molecular Formula
C26H22O10
Molecular Formula
C25H22O10
Molecular Formula
C25H22O10
Num Rotatable Bonds
3
Fda Maximum Daily Dose (Fdamdd)
0.921
Quantitative Estimate Of Drug Likeness（Qed）
0.363