Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 12Links: 13
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 34988
- Core Entity Id
- 42076
- Source Entity Count
- 1
- Preferred Name
- Tetrahydroprotopapaverine
- Name En
- Pubchem Id
- 40512630
- Smiles Canonical
- CN1CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)OC)O)O
- Molecular Formula
- C19H23NO4
- Molecular Weight
- 329.3960
- Inchikey
- ZZYIFMUYXDOBLG-OAHLLOKOSA-N
- Inchi
- InChI=1S/C19H23NO4/c1-20-7-6-13-10-16(21)17(22)11-14(13)15(20)8-12-4-5-18(23-2)19(9-12)24-3/h4-5,9-11,15,21-22H,6-8H2,1-3H3/t15-/m1/s1
- Isomeric Smiles
- CN1CCC2=CC(=C(C=C2[C@H]1CC3=CC(=C(C=C3)OC)OC)O)O
- Cas Id
- 26193-25-9
- Ob Score
- 57.2836
- Mol Logp
- 2.8867
- Num H Donors
- 2
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.8450
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Tetrahydroprotopapaverine
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Tetrahydroprotopapaverine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Tetrahydroprotopapaverine
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Tetrahydroprotopapaverine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
tetrahydroprotopapaverine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
tetrahydroprotopapaverine
Role
preferred
Source
TCMBank
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Cas
26193-25-9
Herb
HBIN046089
Tcmsp
MOL004232
Sym Map
SMIT06188
Pub Chem
40512630
Tcmbank
TCMBANKIN029983
Etcm Ingredient
tetrahydroprotopapaverine
Itcmdb Generated
ITX-INGREDIENT-A9F3F308F126
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C19H23NO4/c1-20-7-6-13-10-16(21)17(22)11-14(13)15(20)8-12-4-5-18(23-2)19(9-12)24-3/h4-5,9-11,15,21-22H,6-8H2,1-3H3/t15-/m1/s1
Mol Wt
329.396
Cas Id
26193-25-9
Mol Log P
2.886700000000002
Version
v1,v2
In Ch Ikey
ZZYIFMUYXDOBLG-OAHLLOKOSA-N
Ob Score
57.2835599757.2835657.284
Suppress
0
Num Hdonors
2
Drug Likeness
0.845
Num Hacceptors
5
Isomeric Smiles
CN1CCC2=CC(=C(C=C2[C@H]1CC3=CC(=C(C=C3)OC)OC)O)O
Molecule Weight
329.43
Canonical Smiles
CN1CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)OC)O)O
Molecular Weight
329.160
Molecular Weight
329.39
Molecular Formula
C19H23NO4
Molecular Formula
C19H23NO4
Molecular Formula
C19H23NO4
Num Rotatable Bonds
4
Fda Maximum Daily Dose (Fdamdd)
0.915
Quantitative Estimate Of Drug Likeness（Qed）
0.845