UCSF

ZINC03831234

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2005 44 No

Popular Name: NOV NOV

Find On: PubMed — Wikipedia — Google

Other Names:

(3r,4s,5r,6r)-5-hydroxy-6-[(2-hydroxy-3-{[4-hydroxy-3-(3-methylbut-2-en-1-yl)benzoyl]amino}-8-methyl-4-oxo-4h-chromen-7-yl)oxy]-3-methoxy-2,2-dimethyltetrahydro-2h-pyran-4-yl carbamate(non-preferred name)

(3R,4S,5R,6R)-5-hydroxy-6-{[4-hydroxy-3-({[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]carbonyl}amino)-8-methyl-2-oxo-2H-chromen-7-yl]oxy}-3-methoxy-2,2-dimethyltetrahydro-2H-pyran-4-yl carbamate

1476-53-5

1476-53-5 (mono-hydrochloride salt)

1aj6

303-81-1

4309-70-0 (calcium salt)

4676-58-8

7-(3-(O-Carbamoyl)-4-(O-methyl)-5,5-dimethyl-alpha-L-lyxopyranosyloxy)-4-hydroxy-3-(4-hydroxy-3-(3-methyl-2-butenyl)benzamidol)-8-methylcumarin

7-(Carbamoyltetrahydro-3-hydroxy-5-methoxy-6,6-dimethylpyran-2-yloxy)-4-hydroxy-3-(4-hydroxy-3-(3-methylbut-2-enyl)benzamide)-8-methyl-2H-chromen-2-one

AC1L1SUS

AC1Q6NLU

ACon0_000808

ACon1_001693

AI3-50148

Albamix

Albamycin

ALBAMYCIN; Albadry; Albamycin (capsule); Albamycin Capsules; Antibiotic from Streptomyces spheroides; Benzamide, N-(7-((3-O-(aminocarbonyl)-6-deoxy-5-C-methyl-4-O-methyl-beta-L-lyxo-hexopyranosyl)oxy)-4-hydroxy-8-methyl-2-oxo-2H-1-benzopyran-3-yl)-4-hydro

Antibiotic PA-93

AR-1A4403

Benzamide, N-(7-((3-O-(aminocarbonyl)-6-deoxy-5-C-methyl-4-O-methyl-beta-L-lyxo-hexopyranosyl)oxy)-4-hydroxy-8-methyl-2-oxo-2H-1-benzopyran-3-yl)-4-hydroxy-3-(3-methyl-2-butenyl)-

BRD-K85307935-236-02-0

BSPBio_002115

C05080

C31H36N2O11

Cardelmycin

Cathocin

Cathomycin

CHEBI:148697

CHEMBL36506

CID9346

cMAP_000043

Coumarin, 7-(4-(carbamoyloxy)tetrahydro-3-hydroxy-5-methoxy-6,6-dimethylpyran-2-yloxy)-4-hydroxy-3-(4-hydroxy-3-(4-hydroxy-3-(3-methyl-2-butenyl)benzamido)-8-methyl-

Crystallinic acid

DAP001500

DB01051

DivK1c_000260

EINECS 206-146-3

HSDB 7443

IDI1_000260

Inamycin

KBio1_000260

KBio2_001481

KBio2_002402

KBio2_004049

KBio2_004970

KBio2_006617

KBio2_007538

KBio3_001615

KBio3_002881

KBioGR_000874

KBioGR_002402

KBioSS_001481

KBioSS_002407

KST-1A4924

LS-187196

LS-25404

MEGxm0_000273

MLS001032086

MolPort-000-771-685

N-[7-[[3-O-(Aminocarbonyl)-6-deoxy-5-C-methyl-4-O-methyl-.beta.-L-lyxo-hexopyranosyl]oxy]-4-hydroxy-8-methyl-2-oxo-2H-1-benzopyran-3-yl]-4-hydroxy-3-(3-methyl-2-butenyl)

nchembio.2007.28-comp33

NINDS_000260

Novo-R

novobiocin

Novobiocin sodium salt

Novobiocin [INN:BAN]

Novobiocina

Novobiocina [INN-Spanish]

Novobiocine

Novobiocine [INN-French]

Novobiocinum

Novobiocinum [INN-Latin]

PA 93

Robiocina

Sirbiocina

SMR000718617

SPBio_001013

Spectrum2_000977

Spectrum3_000528

Spectrum4_000457

Spectrum5_001274

Spectrum_001001

Spheromycin

Stilbiocina

STOCK1N-34236

Streptonivicin

Streptonivicin (*Sodium salt*)

U 6391

UNII-17EC19951N

[(3R,4S,5R,6R)-5-hydroxy-6-[2-hydroxy-3-[[4-hydroxy-3-(3-methylbut-2-enyl)benzoyl]amino]-8-methyl-4-oxochromen-7-yl]oxy-3-methoxy-2,2-dimethyloxan-4-yl] carbamate

Download: MOL2 SDF SMILES Flexibase

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) 3.93 3.95 -56.92 5 13 -1 203 611.624 9 ↓
Lo Low (pH 4.5-6) 3.93 3.6 -28.42 6 13 0 200 612.632 9 ↓

Activity (Go SEA)

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