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Molecule Identifiers
Molecular Properties

ID: 128269

SMILES:
c1(CC=C(C)C)c(O)cc(CCCCC)cc1OC(OCC(C)=CC=O)=O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 374.477

CB1 binding score: -14.774

InChIKey:
DXIGVMKRPQNMSI-UHFFFAOYSA-N

ID: 128270

SMILES:
C1(C)=CC2C(CC1=O)C(C)(C)Oc1c2cccc1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 242.318

CB1 binding score: -16.822

InChIKey:
DMWVASKIZHYTIO-UHFFFAOYSA-N

ID: 128271

SMILES:
C(CCC)Cc1c2c(c(O)cc1)C=CC(CCC=C(C)C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -17.761

InChIKey:
PBZDDVXDWXNWKR-UHFFFAOYSA-N

ID: 128272

SMILES:
c1(O)cc(CCCCC)cc2c1C1C(C(C)(C)O2)CCC(C)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 128273

SMILES:
C1CC(C(C)(O)C)Oc2cc(CCCC)c(C=O)c(O)c21

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 292.375

CB1 binding score: -12.008

InChIKey:
RDUUETLZKFFTIP-UHFFFAOYSA-N

ID: 128274

SMILES:
C1CC(C)=CC(c2c(O)cc(C)cc2O)C1C(C)=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -18.979

InChIKey:
GKVOVXWEBSQJPA-UHFFFAOYSA-N

ID: 128275

SMILES:
Brc1c(O)cc(C2C(C(C)=C)CCC(C)=C2)c(OC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 337.257

CB1 binding score: -16.625

InChIKey:
KAZVPSSQIFZGHL-UHFFFAOYSA-N

ID: 128276

SMILES:
C1(C)(C(C2=C(O)C(CC(C(=CC)C)=O)=C3C(=C2)OC(C)(C)C2CCC(C)C32)O)C=C(C)C(=O)C(C)(C)C1=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 522.682

CB1 binding score: -15.961

InChIKey:
ULIPFNSMAKGNMJ-UHFFFAOYSA-N

ID: 128277

SMILES:
C1CC2C(C)(C)Oc3c(c(O)cc(C(C(C(=CC)C)=O)C)c3)C2C(C=O)(C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 384.516

CB1 binding score: -15.558

InChIKey:
LENJDSPQQLUHSW-UHFFFAOYSA-N

ID: 128278

SMILES:
O(C)c1cc(CC=C(C)CC=CC(O)(CCC=C([CH])C)C)c(O)cc1C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.506

CB1 binding score: -13.723

InChIKey:
RPBFUEWCOZEGLZ-UHFFFAOYSA-N

ID: 128279

SMILES:
C1(C)=CC(c2c(O)cc(O)cc2CCC)C(C(=C)C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -16.327

InChIKey:
CDGOSXHOMFZLSF-UHFFFAOYSA-N

ID: 128280

SMILES:
C(CCc1cc2c(c(O)c1)C1CC(C)(O2)CCC1C(CCC=C(C)C)C)C(C)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 398.587

CB1 binding score: -15.121

InChIKey:
PIHDZDRMDVWERY-UHFFFAOYSA-N

ID: 128281

SMILES:
C(C)(C)=C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -19.089

InChIKey:
MXHIJQHAYHJSTF-UHFFFAOYSA-N

ID: 128282

SMILES:
C1(C(CCC=C(C)COC(=O)C)C)CC(OC(=O)C=C(C)OCC=C(C)C)C(C)=CC1c1c(O)cc(CCC)cc1O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 582.778

CB1 binding score: -14.971

InChIKey:
FFGNVBJNFQWFBK-UHFFFAOYSA-N

ID: 128283

SMILES:
Oc1c(CC=C(CCC=C(C)C)C)c(O)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -19.666

InChIKey:
QXACEHWTBCFNSA-UHFFFAOYSA-N

ID: 128284

SMILES:
C(CC)CCc1cc(O)c(C2C=C(C(CC(CO)C(C)C)=O)CC2)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 374.521

CB1 binding score: -12.694

InChIKey:
DDNLTVPYFFEKOJ-UHFFFAOYSA-N

ID: 128285

SMILES:
C1C2C(C)Oc3cc(C)cc(O)c3C2CC(C)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 244.334

CB1 binding score: -19.583

InChIKey:
CATKIUKABQAXMY-UHFFFAOYSA-N

ID: 128286

SMILES:
C12C(C)CCC(C(C)C)C1C1C(C)(Oc3c1c(OC)cc(CCCCC)c3)CCC2C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 426.685

CB1 binding score: -16.649

InChIKey:
JEALBXOGBQKENB-UHFFFAOYSA-N

ID: 128287

SMILES:
C(CCc1cc2c(c(OC)c1)C1C(CCC(C)=C1)C(C)(C)O2)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -19.779

InChIKey:
VXMYRUJLTHSFQU-UHFFFAOYSA-N

ID: 128288

SMILES:
C(CC(c1cc(OC)c(C2C(C(C)=C)CCC(C)=C2)c(O)c1)C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -16.008

InChIKey:
VSNBPEPNNVKFKK-UHFFFAOYSA-N

ID: 128289

SMILES:
c1(CCC(C)=O)cc(O)c(C2C=C(C)CCC2C(C)C)c(O)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -17.179

InChIKey:
NOOMXXGESVBYII-UHFFFAOYSA-N

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128269–128289 of 773808 items

Molecule Overview

Structure and Identifiers
Isoprenova ID:
Molecular weight:
Biosynthetic pathway:
Superclass:
Class:
InChIKey:
SMILES:
Predicted Receptor Binding
Drug-likeness
Physicochemical Properties