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
- 28971
- Core Entity Id
- 35388
- Source Entity Count
- 1
- Preferred Name
- Palmaturbine
- Name En
- Pubchem Id
- 10547386
- Smiles Canonical
- COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC(=C(C=C4CC3)OC)OC)O
- Molecular Formula
- C20H20NO4+
- Molecular Weight
- 338.3830
- Inchikey
- QBUIDYLGKMWNEA-UHFFFAOYSA-O
- Inchi
- InChI=1S/C20H19NO4/c1-23-17-5-4-12-8-16-14-10-19(25-3)18(24-2)9-13(14)6-7-21(16)11-15(12)20(17)22/h4-5,8-11H,6-7H2,1-3H3/p+1
- Isomeric Smiles
- COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC(=C(C=C4CC3)OC)OC)O
- Cas Id
- Ob Score
- Mol Logp
- 3.0818
- Num H Donors
- 1
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.7460
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Palmatrubine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Palmatrubine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Palmaturbine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Palmaturbine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
palmatrubine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
palmaturbine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(3,10,11-trimethoxy-7,8-dihydro-6-azatetraphen-4-ylidene)oxidanium
Role
alias
Source
itcmdb_public
Preferred
No
Name
(3,10,11-trimethoxy-7,8-dihydro-6-azatetraphen-4-ylidene)oxidanium
Role
alias
Source
HERB_v2
Preferred
No
Name
16176-68-4
Role
alias
Source
itcmdb_public
Preferred
No
Name
16176-68-4
Role
alias
Source
HERB_v2
Preferred
No
Name
2,3,10-trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-9-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
2,3,10-trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-9-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL3139798
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL3139798
Role
alias
Source
itcmdb_public
Preferred
No
Name
Dibenzo[a,g]quinolizinium, 5,6-dihydro-9-hydroxy-2,3,10-trimethoxy-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Dibenzo[a,g]quinolizinium, 5,6-dihydro-9-hydroxy-2,3,10-trimethoxy-
Role
alias
Source
HERB_v2
Preferred
No
Name
PALMATRUBINE
Role
alias
Source
HERB_v2
Preferred
No
Name
PALMATRUBINE
Role
alias
Source
itcmdb_public
Preferred
No
Name
Palmatrubin
Role
alias
Source
HERB_v2
Preferred
No
Name
Palmatrubin
Role
alias
Source
itcmdb_public
Preferred
No
Name
Palmatrubine/Palmaturbine
Role
alias
Source
itcmdb_public
Preferred
No
Name
Palmatrubine/Palmaturbine
Role
alias
Source
HERB_v2
Preferred
No
Name
Palmaturbine
Role
alias
Source
HERB_v2
Preferred
No
Name
Palmaturbine
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL12904353
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL12904353
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
Palmatrubine(3,10,11-trimethoxy-7,8-dihydro-6-azatetraphen-4-ylidene)oxidanium16176-68-42,3,10-trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-9-olCHEMBL3139798Dibenzo[a,g]quinolizinium, 5,6-dihydro-9-hydroxy-2,3,10-trimethoxy-PalmatrubinPalmatrubine/PalmaturbineSCHEMBL12904353
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN038670HBIN038671
Tcmid
3246336804
Pub Chem
10547386
Tcmbank
TCMBANKIN021218TCMBANKIN027136
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C20H19NO4/c1-23-17-5-4-12-8-16-14-10-19(25-3)18(24-2)9-13(14)6-7-21(16)11-15(12)20(17)22/h4-5,8-11H,6-7H2,1-3H3/p+1
Mol Wt
338.3830000000001
Smiles
COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC(=C(C=C4CC3)OC)OC)O
Mol Log P
3.081800000000002
In Ch Ikey
QBUIDYLGKMWNEA-UHFFFAOYSA-O
Num Hdonors
1
Drug Likeness
0.746
Num Hacceptors
4
Isomeric Smiles
COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC(=C(C=C4CC3)OC)OC)O
Canonical Smiles
COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC(=C(C=C4CC3)OC)OC)O
Herb Alias Names
16176-68-4PalmaturbinePalmatrubin2,3,10-trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-9-olDibenzo[a,g]quinolizinium, 5,6-dihydro-9-hydroxy-2,3,10-trimethoxy-(3,10,11-trimethoxy-7,8-dihydro-6-azatetraphen-4-ylidene)oxidaniumPalmatrubine/PalmaturbineCHEMBL3139798SCHEMBL12904353
Molecular Weight
338.4 g/mol
Molecular Formula
C20H20NO4+
Molecular Formula
C20H20NO4+
Num Rotatable Bonds
3