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Molecule Identifiers
Molecular Properties

ID: 75265

SMILES:
C1C(C)C2(c3c(O)cc(O)cc3OC(CCCC(O)(C)C)(C)C(O)C2)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 366.454

CB1 binding score: -14.934

InChIKey:
RTNRNTWLFNNQAA-UHFFFAOYSA-N

ID: 75266

SMILES:
c12c(ccc(C)c1)C(C)(C)Oc1c-2c(O)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 310.437

CB1 binding score: -19.554

InChIKey:
VBGLYOIFKLUMQG-UHFFFAOYSA-N

ID: 75267

SMILES:
C1C(C)c2c(cc(C)c(O)c2)-c2c1c(O)cc(CCCCC)c2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 310.437

CB1 binding score: -15.998

InChIKey:
OHBSBKCFDPHCFH-UHFFFAOYSA-N

ID: 75268

SMILES:
C12C(C(C)C)CCCC1(C)Oc1c(c(O)cc(CCCCC)c1)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.512

CB1 binding score: -15.404

InChIKey:
FSPVGHIBPATHTI-UHFFFAOYSA-N

ID: 75269

SMILES:
O(c1cc2c(cc1)OC(C)(C)C1CC=C(C)CC21)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -17.764

InChIKey:
NRRZXOLZVDIGDT-UHFFFAOYSA-N

ID: 75270

SMILES:
C1(C)C(C)(CCC(C)(CCCc2ccoc2)C)Oc2cc(O)cc(C)c2C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.533

CB1 binding score: -14.738

InChIKey:
PKCCKKAFPWQEGM-UHFFFAOYSA-N

ID: 75271

SMILES:
CC1C(=O)CC23C(OC(=O)C2C)c2c(cc(CCCCC)cc2O)OC3(C)C1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 386.488

CB1 binding score: -14.363

InChIKey:
XQQAWUNLLQZQNU-UHFFFAOYSA-N

ID: 75272

SMILES:
C(=O)c1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)=CC1OO

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.342

CB1 binding score: -15.745

InChIKey:
LZWJIHVLZYWGJS-UHFFFAOYSA-N

ID: 75273

SMILES:
C1(C)(C)Oc2cc(CCCCC)c(C(OC(C3(C)CO3)=O)C(C)=C)cc2CC1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 400.559

CB1 binding score: -15.518

InChIKey:
MHSMMRBXUZQULI-UHFFFAOYSA-N

ID: 75274

SMILES:
C1(C)=CC(c2c(O)cc(CCC)cc2O)C(C(=C)C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -19.532

InChIKey:
REOZWEGFPHTFEI-UHFFFAOYSA-N

ID: 75275

SMILES:
C1C(=O)C(C(CC(CCCC(C)(O)C)C)C)Oc2c1c(O)cc(CCCCC)c2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 404.591

CB1 binding score: -16.491

InChIKey:
YKNHQQUPNCTFBU-UHFFFAOYSA-N

ID: 75276

SMILES:
O(C(=O)CCCCC)CC1(O)C(C)(C)Oc2cc(CCCCC)c(O)c(O)c21

Pathway: Polyketides

Superclass: Meroterpenoids;Aromatic polyketides

Class: Cannabinoids;Catechols with side chains

MW: 394.508

CB1 binding score: -16.138

InChIKey:
CGGZADSPVKSGAU-UHFFFAOYSA-N

ID: 75277

SMILES:
Oc1c2c(cc(CCCC(O)C)c1)C=CC(C)(C)O2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 262.349

CB1 binding score: -12.518

InChIKey:
NBBBXUIVJJYCED-UHFFFAOYSA-N

ID: 75278

SMILES:
CC1=CC2C(C(C)(C)Oc3cc(C(C)C)c(O)c(OC(C)=O)c32)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.451

CB1 binding score: -16.541

InChIKey:
QBPRSTLBOSKBFJ-UHFFFAOYSA-N

ID: 75279

SMILES:
C(Cc1cc2c(c(OC)c1OC)OC(C)(C)C1CC=C(C)CC12)=O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.424

CB1 binding score: -15.507

InChIKey:
WVYPRVQIVBIACE-UHFFFAOYSA-N

ID: 75280

SMILES:
C(CCC)Cc1cc(O)c2c(c1)OC(C)(CCC=C(C)C)C=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.933

InChIKey:
UVOLYTDXHDXWJU-UHFFFAOYSA-N

ID: 75281

SMILES:
C1CC=C(C)C2(Oc3c(c(O)cc(CCCCC)c3)C2C(C)C)C1(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.55

CB1 binding score: -14.979

InChIKey:
IUYZGKSDDJOBFJ-UHFFFAOYSA-N

ID: 75282

SMILES:
C(CCC)Cc1cc(O)c(C2C=C(C)CCC2C(=C)C)cc1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 298.47

CB1 binding score: -18.957

InChIKey:
OANGEIYPAQYPQV-UHFFFAOYSA-N

ID: 75283

SMILES:
C(CCCC)c1cc2c(c(O)c1)C1C(CC(C)(O)CC1)C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -18.715

InChIKey:
POGJSPFSYBEGJI-UHFFFAOYSA-N

ID: 75284

SMILES:
C1=C(C)C(O)C2C(C1)C(C)(C)Oc1cc(CCCCC)cc(OC)c1O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.494

CB1 binding score: -15.187

InChIKey:
UFEMBJKTLRVMIH-UHFFFAOYSA-N

ID: 75285

SMILES:
CC1=CC2c3c(cc(CCCCC)cc3O)OC(C)(C)C2CC1=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -19.026

InChIKey:
FJVJQPVMJALOMF-UHFFFAOYSA-N

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75265–75285 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