Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 4Links: 7
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 70644
- Core Entity Id
- 133293
- Source Entity Count
- 1
- Preferred Name
- Carbenoxolone
- Name En
- Pubchem Id
- 636403
- Smiles Canonical
- CC1(C2CCC3(C(C2(CCC1OC(=O)CCC(=O)O)C)C(=O)C=C4C3(CCC5(C4CC(CC5)(C)C(=O)O)C)C)C)C
- Molecular Formula
- C37H56O7
- Molecular Weight
- 612.4000
- Inchikey
- OBZHEBDUNPOCJG-WBXJDKIVSA-N
- Inchi
- InChI=1S/C34H50O7/c1-29(2)23-10-13-34(7)27(32(23,5)12-11-24(29)41-26(38)9-8-25(36)37)22(35)18-20-21-19-31(4,28(39)40)15-14-30(21,3)16-17-33(20,34)6/h18,21,23-24,27H,8-17,19H2,1-7H3,(H,36,37)(H,39,40)/t21-,23-,24-,27+,30+,31-,32-,33+,34+/m0/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 6.4000
- Num H Donors
- 2
- Num H Acceptors
- 7
- Num Rotatable Bonds
- 6
- Drug Likeness
- Polar Surface Area
- 118.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Carbenoxolone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
Carbenoxolone
Itcmdb Generated
ITX-INGREDIENT-23E1EC7CCE6A
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
612.400
Molecular Formula
C37H56O7
Fda Maximum Daily Dose (Fdamdd)
0.783
Quantitative Estimate Of Drug Likeness（Qed）
0.302