IngredientID 27901

Nordracorubin; (s)-form

C31H22O5

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Relationship Network

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Herb: 1Ingredient: 1Links: 1
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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id
27901
Core Entity Id
34197
Source Entity Count
1
Preferred Name
Nordracorubin; (s)-form
Name En
Pubchem Id
6713100
Smiles Canonical
Molecular Formula
C31H22O5
Molecular Weight
474.5000
Inchikey
ZKOTWKIEVACBFM-QHCPKHFHSA-N
Inchi
InChI=1S/C31H22O5/c1-33-25-17-28-30(31-21(25)12-13-23(36-31)18-8-4-2-5-9-18)22-16-24(19-10-6-3-7-11-19)34-26-14-20(32)15-27(35-28)29(22)26/h2-11,14-17,23H,12-13H2,1H3/t23-/m0/s1
Isomeric Smiles
Cas Id
35290-22-3
Ob Score
Mol Logp
5.0000
Num H Donors
0
Num H Acceptors
5
Num Rotatable Bonds
3
Drug Likeness
Polar Surface Area
54.0000
Molecular Volume
Alogp

Names

Preferred names, aliases, and source labels retained in the final schema.

Name
Nordracorubin; (s)-form
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Nordracorubin; (s)-form
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
nordracorubin; (s)-form
Role
preferred
Source
TCMBank
Preferred
Yes

Cross References

Trusted external identifiers retained for this final record.

Cas
35290-22-3
Herb
HBIN037329
Tcm Id
2227
Tcmbank
TCMBANKIN030254

Attributes

Merged source attributes and domain-specific metadata.

Cas Id
35290-22-3
Molecular Weight
474.5
Molecular Formula
C31H22O5
Molecular Formula
C31H22O5