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
- 47769
- Core Entity Id
- 90780
- Source Entity Count
- 1
- Preferred Name
- 2Α,3Β,23,24-Tetra-Hydroxyolean-12-En-28-Oic Acid
- Name En
- Pubchem Id
- 14105931
- Smiles Canonical
- CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(CO)(CO)C5CCC43C)C2C1
- Molecular Formula
- C30H48O6
- Molecular Weight
- 504.7000
- Inchikey
- IHSNIFFMIWMPRL-UHFFFAOYSA-N
- Inchi
- InChI=1S/C30H48O6/c1-25(2)10-12-29(24(35)36)13-11-27(4)18(19(29)14-25)6-7-21-26(3)15-20(33)23(34)30(16-31,17-32)22(26)8-9-28(21,27)5/h6,19-23,31-34H,7-17H2,1-5H3,(H,35,36)
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 4.6000
- Num H Donors
- 5
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 3
- Drug Likeness
- Polar Surface Area
- 118.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2Α,3Β,23,24-Tetra-Hydroxyolean-12-En-28-Oic Acid
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
2α,3β,23,24-tetra-hydroxyolean-12-en-28-oic acid
Role
preferred
Source
TCMBank
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Sym Map
SMIT20846
Tcmbank
TCMBANKIN026211
Itcmdb Generated
ITX-INGREDIENT-DC52E0DA756C
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
Smiles
CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(CO)CO)O)O)C)C)C2C1)C)C(=O)O)C
Version
v2
Suppress
0
Molecular Formula
C30H48O6