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
- 3787
- Core Entity Id
- 7396
- Source Entity Count
- 1
- Preferred Name
- 3alpha,11alpha-dihydroxy-20(29)-lupene-23,28-dioic acid
- Name En
- Pubchem Id
- 14866192
- Smiles Canonical
- CC(=C)C1CCC2(C1C3CC(C4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C(=O)O)O)C)O)C(=O)O
- Molecular Formula
- C30H46O6
- Molecular Weight
- 502.7000
- Inchikey
- VZYJGZZXVOHUMY-DPPLFAKZSA-N
- Inchi
- InChI=1S/C30H46O6/c1-16(2)17-7-12-30(25(35)36)14-13-27(4)18(22(17)30)15-19(31)23-26(3)10-9-21(32)29(6,24(33)34)20(26)8-11-28(23,27)5/h17-23,31-32H,1,7-15H2,2-6H3,(H,33,34)(H,35,36)/t17-,18+,19+,20+,21+,22+,23+,26-,27+,28+,29-,30-/m0/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 6.1000
- Num H Donors
- 4
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 3
- Drug Likeness
- Polar Surface Area
- 115.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
3alpha,11alpha-dihydroxy-20(29)-lupene-23,28-dioic acid
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
3alpha,11alpha-dihydroxy-20(29)-lupene-23,28-dioic acid
Role
preferred
Source
itcmdb_public
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN007893
Tcmid
42712