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
- 59426
- Core Entity Id
- 102437
- Source Entity Count
- 1
- Preferred Name
- Mulbaine C
- Name En
- Pubchem Id
- 37362
- Smiles Canonical
- CC(=O)OC1CC2C3CC=C4CC(O)CCC4(C)C3CCC2(C)C1C(C)C1CCC(C)CN1
- Molecular Formula
- C29H47NO3
- Molecular Weight
- 457.7000
- Inchikey
- ZVYUDNWAHWVPPN-UHFFFAOYSA-N
- Inchi
- InChI=1S/C29H47NO3/c1-17-6-9-25(30-16-17)18(2)27-26(33-19(3)31)15-24-22-8-7-20-14-21(32)10-12-28(20,4)23(22)11-13-29(24,27)5/h7,17-18,21-27,30,32H,6,8-16H2,1-5H3
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 5.7000
- Num H Donors
- 2
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 4
- Drug Likeness
- Polar Surface Area
- 58.6000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Mulbaine C
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
mulbaine C
Role
preferred
Source
TCMBank
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN035893
Sym Map
SMIT25522
Tcmbank
TCMBANKIN060466
Itcmdb Generated
ITX-INGREDIENT-DB4BCC7247DA
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
Smiles
CC1CCC(NC1)C(C)C2C(CC3C2(CCC4C3CC=C5C4(CCC(C5)O)C)C)OC(=O)C
Version
v2
Suppress
0
Molecular Formula
C29H47NO3