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
- 1530
- Core Entity Id
- 4889
- Source Entity Count
- 1
- Preferred Name
- 2alpha,3beta-dihydroxyllupeol
- Name En
- Pubchem Id
- 15127233
- Smiles Canonical
- CC(=C)C1CCC2(C1C3CCC4C(C3(CC2)C)(CCC5C4(CC(C(C5(C)C)O)O)C)C)C
- Molecular Formula
- C30H50O2
- Molecular Weight
- 442.7000
- Inchikey
- OESLKRXCBRUCJZ-BUXXFNAFSA-N
- Inchi
- InChI=1S/C30H50O2/c1-18(2)19-11-13-27(5)15-16-29(7)20(24(19)27)9-10-23-28(6)17-21(31)25(32)26(3,4)22(28)12-14-30(23,29)8/h19-25,31-32H,1,9-17H2,2-8H3/t19-,20+,21+,22-,23+,24+,25-,27+,28-,29+,30+/m0/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 8.9000
- Num H Donors
- 2
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 1
- Drug Likeness
- Polar Surface Area
- 40.5000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2alpha,3beta-dihydroxyllupeol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
2alpha,3beta-dihydroxyllupeol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN005227
Tcmid
42346