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
- 426
- Core Entity Id
- 3667
- Source Entity Count
- 1
- Preferred Name
- 2,3-dehydro silychristin
- Name En
- Pubchem Id
- 131752842
- Smiles Canonical
- COC1=C(C=CC(=C1)C2C(C3=C(O2)C(=CC(=C3)C4=C(C(=O)C5=C(C=C(C=C5O4)O)O)O)O)CO)O
- Molecular Formula
- C25H20O10
- Molecular Weight
- 480.4250
- Inchikey
- SFNRHEPTJDJBPD-UHFFFAOYSA-N
- Inchi
- InChI=1S/C25H20O10/c1-33-18-6-10(2-3-15(18)28)23-14(9-26)13-4-11(5-17(30)25(13)35-23)24-22(32)21(31)20-16(29)7-12(27)8-19(20)34-24/h2-8,14,23,26-30,32H,9H2,1H3
- Isomeric Smiles
- COC1=C(C=CC(=C1)C2C(C3=C(O2)C(=CC(=C3)C4=C(C(=O)C5=C(C=C(C=C5O4)O)O)O)O)CO)O
- Cas Id
- Ob Score
- Mol Logp
- 3.2062
- Num H Donors
- 6
- Num H Acceptors
- 10
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.2550
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2,3-Dehydro Silychristin
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
2,3-Dehydro Silychristin
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
2,3-dehydro silychristin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
2,3-dehydro silychristin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2,3-dehydro silychristin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN003959
Tcmid
42601
Sym Map
SMIT20499
Pub Chem
131752842
Tcmbank
TCMBANKIN022188
Itcmdb Generated
ITX-INGREDIENT-748E98141B78
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C25H20O10/c1-33-18-6-10(2-3-15(18)28)23-14(9-26)13-4-11(5-17(30)25(13)35-23)24-22(32)21(31)20-16(29)7-12(27)8-19(20)34-24/h2-8,14,23,26-30,32H,9H2,1H3
Mol Wt
480.4250000000002
Smiles
COC1=C(C=CC(=C1)C2C(C3=C(O2)C(=CC(=C3)C4=C(C(=O)C5=C(C=C(C=C5O4)O)O)O)O)CO)O
Mol Log P
3.206200000000004
Version
v2
In Ch Ikey
SFNRHEPTJDJBPD-UHFFFAOYSA-N
Suppress
0
Num Hdonors
6
Drug Likeness
0.255
Num Hacceptors
10
Isomeric Smiles
COC1=C(C=CC(=C1)C2C(C3=C(O2)C(=CC(=C3)C4=C(C(=O)C5=C(C=C(C=C5O4)O)O)O)O)CO)O
Canonical Smiles
COC1=C(C=CC(=C1)C2C(C3=C(O2)C(=CC(=C3)C4=C(C(=O)C5=C(C=C(C=C5O4)O)O)O)O)CO)O
Molecular Weight
480.4 g/mol
Molecular Formula
C25H20O10
Molecular Formula
C25H20O10
Num Rotatable Bonds
4