Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 30968
- Core Entity Id
- 37604
- Source Entity Count
- 1
- Preferred Name
- Pteleatin
- Name En
- Pubchem Id
- 442930
- Smiles Canonical
- CC(C)(C1CC2=C(C3=C(C(=CC=C3)O)[N+](=C2O1)C)OC)O
- Molecular Formula
- C16H20NO4+
- Molecular Weight
- 290.3390
- Inchikey
- LLOFHMBKWRXUBL-GFCCVEGCSA-O
- Inchi
- InChI=1S/C16H19NO4/c1-16(2,19)12-8-10-14(20-4)9-6-5-7-11(18)13(9)17(3)15(10)21-12/h5-7,12,19H,8H2,1-4H3/p+1/t12-/m1/s1
- Isomeric Smiles
- CC(C)([C@H]1CC2=C(C3=C(C(=CC=C3)O)[N+](=C2O1)C)OC)O
- Cas Id
- Ob Score
- Mol Logp
- 1.4529
- Num H Donors
- 2
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.8220
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Pteleatin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Pteleatin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
pteleatin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(2R)-2-(2-hydroxypropan-2-yl)-4-methoxy-9-methyl-2,3-dihydrofuro[2,3-b]quinolin-9-ium-8-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(2R)-2-(2-hydroxypropan-2-yl)-4-methoxy-9-methyl-2,3-dihydrofuro[2,3-b]quinolin-9-ium-8-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
34443-73-7
Role
alias
Source
HERB_v2
Preferred
No
Name
34443-73-7
Role
alias
Source
itcmdb_public
Preferred
No
Name
C10734
Role
alias
Source
HERB_v2
Preferred
No
Name
C10734
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:8625
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:8625
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID00332010
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID00332010
Role
alias
Source
itcmdb_public
Preferred
No
Name
Pteleatine
Role
alias
Source
HERB_v2
Preferred
No
Name
Pteleatine
Role
alias
Source
itcmdb_public
Preferred
No
Name
Q27108118
Role
alias
Source
HERB_v2
Preferred
No
Name
Q27108118
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(2R)-2-(2-hydroxypropan-2-yl)-4-methoxy-9-methyl-2,3-dihydrofuro[2,3-b]quinolin-9-ium-8-ol34443-73-7C10734CHEBI:8625DTXSID00332010PteleatineQ27108118
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN041151
Npass
NPC43427
Tcmid
18088
Pub Chem
442930
Tcmbank
TCMBANKIN030310
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C16H19NO4/c1-16(2,19)12-8-10-14(20-4)9-6-5-7-11(18)13(9)17(3)15(10)21-12/h5-7,12,19H,8H2,1-4H3/p+1/t12-/m1/s1
Mol Wt
290.3390000000001
Smiles
CC(C)(C1CC2=C(C3=C(C(=CC=C3)O)[N+](=C2O1)C)OC)O
Mol Log P
1.4529
In Ch Ikey
LLOFHMBKWRXUBL-GFCCVEGCSA-O
Num Hdonors
2
Drug Likeness
0.822
Num Hacceptors
4
Isomeric Smiles
CC(C)([C@H]1CC2=C(C3=C(C(=CC=C3)O)[N+](=C2O1)C)OC)O
Canonical Smiles
CC(C)(C1CC2=C(C3=C(C(=CC=C3)O)[N+](=C2O1)C)OC)O
Herb Alias Names
Pteleatine34443-73-7(2R)-2-(2-hydroxypropan-2-yl)-4-methoxy-9-methyl-2,3-dihydrofuro[2,3-b]quinolin-9-ium-8-olC10734CHEBI:8625DTXSID00332010Q27108118
Molecular Formula
C16H20NO4+
Molecular Formula
C16H20NO4+
Num Rotatable Bonds
2