Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Ingredient: 1Target: 4Links: 4
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 46563
- Core Entity Id
- 89574
- Source Entity Count
- 1
- Preferred Name
- Physachenolide C
- Name En
- Pubchem Id
- 122186568
- Smiles Canonical
- CC1=C(C(=O)OC(C1)C(C)(C2(CCC3(C2(CCC4C3CC5C6(C4(C(=O)C=CC6)C)O5)COC(=O)C)O)O)O)C
- Molecular Formula
- C30H40O9
- Molecular Weight
- 544.6000
- Inchikey
- GKMMNQCWGZRQTN-XVRWHRFDSA-N
- Inchi
- InChI=1S/C30H40O9/c1-16-13-22(38-24(33)17(16)2)26(5,34)30(36)12-11-28(35)20-14-23-29(39-23)9-6-7-21(32)25(29,4)19(20)8-10-27(28,30)15-37-18(3)31/h6-7,19-20,22-23,34-36H,8-15H2,1-5H3/t19-,20+,22+,23+,25-,26-,27+,28+,29+,30+/m0/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 1.1000
- Num H Donors
- 3
- Num H Acceptors
- 9
- Num Rotatable Bonds
- 5
- Drug Likeness
- Polar Surface Area
- 143.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Physachenolide C
Role
preferred
Source
TCMBank
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Tcmbank
TCMBANKIN022185
Itcmdb Generated
ITX-INGREDIENT-6F054E6F6321
Attributes
Merged source attributes and domain-specific metadata.
Tcm Name2
Physalis chenopodifolia
Mol2 Path
/TCM_database/2007_3d_all/17234.mol2
Reference
4922