UCSF

ZINC19535049

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2008 26 Yes

Popular Name: Tetrahydropalmatine Tetrahydropalmatine

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CAS Numbers: 10097-84-4 , 2506-20-9 , 2934-97-6 , 3520-14-7 , 483-14-7 , 6024-85-7 , 84-38-8 , [10097-84-4] , [2934-97-6] , [483-14-7]

Other Names:

(-)-Corydalis; (-)-Tetrahydropalmatine; (S)-5,8,13,13a-Tetrahydro-2,3,9,10-tetramethoxy-6H-dibenzo(a,g)quinolizine; (S)-Tetrahydropalmatine; (S)-isomer of tetrahydropalmatine; 13a-alpha-Berbine, 2,3,9,10-tetramethoxy-; 6H-Dibenzo(a,g)quinolizine, 5,8,13,1

(-)-tetrahydropalmatine; (S)-(-)-tetrahydropalmatine; (S)-tetrahydropalmatine; 2,3,9,10-tetramethoxy-13aalpha-berbine; L-tetrahydropalmatine; tetrahydropalmatine

(S)-2,3,9,10-Tetramethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[3,2-a]isoquinoline

(S)-Tetrahydropalmatine; 483-14-7; C02890; Tetrahydropalmatine

1-Tetrahydropalmitine HCl; 13a-alpha-Berbine, 2,3,9,10-tetramethoxy-, hydrochloride; 13aalpha-Berbine, 2,3,9,10-tetramethoxy-, hydrochloride; 2,3,9,10-Tetramethoxy-13a-alpha-berbine hydrochloride; 6H-Dibenzo(a,g)quinolizine, 5,8,13,13a-tetrahydro-2,3,9,10

10097-84-4; tetrahydropalmatine

13abeta-Berbine, 2,3,9,10-tetramethoxy-, hydrochloride; 6H-Dibenzo(a,g)quinolizine, 5,8,13,13a-tetrahydro-2,3,9,10-tetramethoxy-, hydrochloride, (R)-; Berbine, 2,3,9,10-tetramethoxy-, hydrochloride, (+)-; C21H25NO4.HCl; HCl(R)-isomer of tetrahydropalmatin

2,3,9,10-Tetramethoxy-5,8,13,13a-tetrahydro-6H-isoquino[3,2-a]isoquinoline

5,8,13,13a-Tetrahydro-2,3,9,10-tetramethoxy-6H-dibenzo(a,g)quinolizine; 6H-Dibenzo(a,g)quinolizine, 5,8,13,13a-tetrahydro-2,3,9,10-tetramethoxy-; Berbine, 2,3,9,10-tetramethoxy-; C21H25NO4; LS-61253; Rotundium; Tetrahydropalmatine; corydalis B; gindarin

6H-Dibenzo(a,g)quinolizine, 5,8,13,13a-tetrahydro-2,3,9,10-tetramethoxy-, hydrochloride, (+-)-; Berbine, 2,3,9,10-tetramethoxy-, hydrochloride, (+-)-; C21H25NO4.HCl; HCl(+-)-isomer of tetrahydropalmatine; LS-43455; NSC 132057; Palmatine, tetrahydro-, hydr

6H-Dibenzo(a,g)quinolizine, 5,8,13,13a-tetrahydro-2,3,9,10-tetramethoxy-, hydrochloride; Berbine, 2,3,9,10-tetramethoxy-, hydrochloride; C21H25NO4.HCl; HCl of tetrahydropalmatine; LS-43453; NSC 209411; Tetrahydropalmaline chloride; l-Tetrahydropalmatine h

BRD-A43940795-001-02-8

BRD-A43940795-001-03-6

CHEBI:15223; CHEBI:26917; CHEBI:9486

L-Tetrahydropalmatine

L-Tetrahydropalmatine hydrochloride

MFCD00156231

MFCD00214191

MFCD03265591

MFCD06412573

N/A

Palmatine, Tetrahydro derivative of

QA-0808

Rotundine

Rotundinum

Tetrahydropalmatin

Tetrahydropalmatine hydrochloride

Tetrahydropalmatine [10097-84-4]

TETRAHYDROPALMATINE; [2934-97-6]

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.75 6.77 -10.58 0 5 0 40 355.434 4 ↓

Vendor Notes

Note Type Comments Provided By
M.P 155C Indofine Natural Products
Therapy analgesic, hypnotic, papaverine-like SMDC MicroSource
UniProt Database Links COOMT_COPJA; PNMT_THLFG; TNMT1_PAPBR; TNMT_ESCCA; TNMT_PAPSO ChEBI
Target Dopamine Receptor Selleck Chemicals
PUBCHEM_PATENT_ID EP0108147A1; EP0154035A2; EP0538844A2; EP0538844A3; US4657861; US4761417; US5153178; US5470852; WO1983003970A1; WO1996011894A1; WO1997006812A1; WO1998000018A1 IBM Patent Data
Patent Database Links EP1911456 ChEBI
APPEARANCE Light-yellow Indofine Natural Products

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
SGMR1-1-E Sigma Opioid Receptor (cluster #1 Of 6), Eukaryotic Eukaryotes 3 0.46 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
SGMR1_HUMAN Q99720 Sigma Opioid Receptor, Human 2.5 0.46 Binding ≤ 1μM
SGMR1_HUMAN Q99720 Sigma Opioid Receptor, Human 2.5 0.46 Binding ≤ 10μM

Analogs ( Draw Identity 99% 90% 80% 70% )