Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 2Links: 5
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 4220
- Core Entity Id
- 7877
- Source Entity Count
- 1
- Preferred Name
- 3b-(p-hydroxy-trans-cinnamoyloxy)-2a-hydroxy-oleanolic acid
- Name En
- Pubchem Id
- 14335962
- Smiles Canonical
- Molecular Formula
- C39H54O6
- Molecular Weight
- 618.8400
- Inchikey
- KWLOAKAXMOYBRK-DBNVPYPFSA-N
- Inchi
- InChI=1S/C39H54O6/c1-34(2)18-20-39(33(43)44)21-19-37(6)26(27(39)22-34)13-14-30-36(5)23-28(41)32(35(3,4)29(36)16-17-38(30,37)7)45-31(42)15-10-24-8-11-25(40)12-9-24/h8-13,15,27-30,32,40-41H,14,16-23H2,1-7H3,(H,43,44)/b15-10+/t27-,28+,29-,30+,32-,36-,37+,38+,39-/m0/s1
- Isomeric Smiles
- Cas Id
- 35482-91-8
- Ob Score
- 22.6390
- Mol Logp
- 8.8000
- Num H Donors
- 3
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 5
- Drug Likeness
- Polar Surface Area
- 104.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
3B-(P-Hydroxy-Trans-Cinnamoyloxy)-2A-Hydroxy-Oleanolic Acid
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
3B-(P-Hydroxy-Trans-Cinnamoyloxy)-2A-Hydroxy-Oleanolic Acid
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
3b-(p-hydroxy-trans-cinnamoyloxy)-2a-hydroxy-oleanolic acid
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
3b-(p-hydroxy-trans-cinnamoyloxy)-2a-hydroxy-oleanolic acid
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
3b-(p-hydroxy-trans-cinnamoyloxy)-2a-hydroxy-oleanolic acid
Role
preferred
Source
TCMBank
Preferred
Yes
Name
3b-(p-hydroxy-trans-cinnamoyloxy)-2a-hydroxy-oleanolic acid
Role
preferred
Source
itcmdb_public
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Cas
35482-91-8
Herb
HBIN008344
Tcmsp
MOL005183
Sym Map
SMIT06979
Tcmbank
TCMBANKIN030652
Etcm Ingredient
3b-(p-hydroxy-trans-cinnamoyloxy)-2a-hydroxy-oleanolic acid
Itcmdb Generated
ITX-INGREDIENT-87B6C30DAC53
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
Cas Id
35482-91-8
Version
v1,v2
Ob Score
22.63922.639143922.639144
Suppress
0
Molecule Weight
618.93
Molecular Weight
618.390
Molecular Weight
618.84
Molecular Formula
C39H54O6
Molecular Formula
C39H54O6
Molecular Formula
C39H54O6
Fda Maximum Daily Dose (Fdamdd)
0.933
Quantitative Estimate Of Drug Likeness（Qed）
0.179