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
- 4113
- Core Entity Id
- 7758
- Source Entity Count
- 1
- Preferred Name
- 3beta-hydroxy-30-norlupan-20-one
- Name En
- Pubchem Id
- 490365
- Smiles Canonical
- CC(=O)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)C
- Molecular Formula
- C29H48O2
- Molecular Weight
- 428.7000
- Inchikey
- RCXANGLYPFOYKX-XJJQXQETSA-N
- Inchi
- InChI=1S/C29H48O2/c1-18(30)19-10-13-26(4)16-17-28(6)20(24(19)26)8-9-22-27(5)14-12-23(31)25(2,3)21(27)11-15-29(22,28)7/h19-24,31H,8-17H2,1-7H3/t19-,20+,21-,22+,23-,24+,26+,27-,28+,29+/m0/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 7.9000
- Num H Donors
- 1
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 1
- Drug Likeness
- Polar Surface Area
- 37.3000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
3beta-hydroxy-30-norlupan-20-one
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
3beta-hydroxy-30-norlupan-20-one
Role
preferred
Source
itcmdb_public
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN008229
Tcmid
36060