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Molecule Identifiers
Molecular Properties

ID: 122263

SMILES:
CC(C)=CCCC(=CCc1c(O)cc(CCCCC)cc1O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -19.666

InChIKey:
QXACEHWTBCFNSA-UHFFFAOYSA-N

ID: 122264

SMILES:
c1(O)c(C(O)=O)c(CCCCC)cc2c1C1C=C(C)CCC1C(CCC=C(C)C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 426.597

CB1 binding score: -16.577

InChIKey:
CRCVVYXKRNFYFQ-UHFFFAOYSA-N

ID: 122265

SMILES:
C(C)CCCc1cc2c(c(O)c1)C1CC(C)=CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.121

InChIKey:
HCAWPGARWVBULJ-UHFFFAOYSA-N

ID: 122266

SMILES:
C(CO)C(c1cc(O)c(C2C=C(C)CCC2C(=C)C)c(O)c1)CCc1ccccc1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 406.566

CB1 binding score: Not available

InChIKey:
YHRMSCHCRDKRPG-UHFFFAOYSA-N

ID: 122267

SMILES:
C12C(C(O)C(C)CC1)c1c(cc(CCCCC)cc1O)OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -17.898

InChIKey:
SUVXTOCRTNYFMQ-UHFFFAOYSA-N

ID: 122268

SMILES:
C(CC)CCc1cc(OC)c2c(c1C=O)OC(CCC=C(C)C)(C)C=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.506

CB1 binding score: -16.647

InChIKey:
MFVLFTGGCJPDPL-UHFFFAOYSA-N

ID: 122269

SMILES:
Oc1c(C2C(C(C)=C)CCC(C)=C2)c(O)c(C=O)c(O)c1C(c1ccc2c(c1)OC(CCC=C(C)C)(C)C(O)C2)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 560.731

CB1 binding score: -13.206

InChIKey:
ZQUIZSRXDNYGOY-UHFFFAOYSA-N

ID: 122270

SMILES:
CC(=CCc1c(O)cc(CCCCC)cc1OC)CO

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 278.392

CB1 binding score: -17.429

InChIKey:
OOAVWYOYGYEXHP-UHFFFAOYSA-N

ID: 122271

SMILES:
OC1(c2c(O)cc(CCCCC)cc2OC)C(C(C)CCC=C(C)C)CCC1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 402.619

CB1 binding score: -13.452

InChIKey:
ILYPAPCIYIEALT-UHFFFAOYSA-N

ID: 122272

SMILES:
c12c(cc(CCCCC)cc1O)OC(C)(C)C1C2C=C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 122273

SMILES:
c1(O)c(O)c(OC)c(C(C(C)CC)=O)c2c1C1C=C(C)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 374.477

CB1 binding score: -11.637

InChIKey:
FKCSIOOMUQPGFG-UHFFFAOYSA-N

ID: 122274

SMILES:
C(=CCCC1(C)OC1Cc1c(O)cc(CCC)cc1O)(C)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.43

CB1 binding score: -15.723

InChIKey:
OVOWHKVAGVYSQE-UHFFFAOYSA-N

ID: 122275

SMILES:
C12C(CC(CO)=CC1)c1c(cc(CCCCC)cc1O)OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -18.832

InChIKey:
LOUSQMWLMDHRIK-UHFFFAOYSA-N

ID: 122276

SMILES:
CC(C)=CCCC(C)=CCC12Cc3c(O)c(C(=O)O)c(CCC)cc3OC(C)(C)C1C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 426.597

CB1 binding score: -12.723

InChIKey:
VUSZXNROLQXDIY-UHFFFAOYSA-N

ID: 122277

SMILES:
c1(O)c2c(cc(CCCC)c1)C1C(CC=C(C)C1)C(C(=CC=CC(=C)C)C)CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 390.611

CB1 binding score: -14.581

InChIKey:
RDTAAUROAIOMHV-UHFFFAOYSA-N

ID: 122278

SMILES:
CCCc1c(O)c2c(c3c1OC1(C)OCC(C)C1C3)C1C(CCC(C)=C1)C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 412.57

CB1 binding score: -13.675

InChIKey:
JRDOQZDPGIJOON-UHFFFAOYSA-N

ID: 122279

SMILES:
CC1C(O)C(c2c(O)cc(CCC)cc2O)C(C(C)=C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 290.403

CB1 binding score: -15.54

InChIKey:
FSHOQORUDKAOAL-UHFFFAOYSA-N

ID: 122280

SMILES:
C12c3c(O)cc(CCC)c(C)c3OC(C)(C)C1CC=C(C)CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -15.929

InChIKey:
NEDLOZPJLXZTAV-UHFFFAOYSA-N

ID: 122281

SMILES:
C1C(O)C(C)=CC2C1C(C)(C)Oc1cc(CCCCC)cc(O)c12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -19.534

InChIKey:
INKUWBOHCFHXTJ-UHFFFAOYSA-N

ID: 122282

SMILES:
O1c2c(c(O)cc(CCCCC)c2)C2(C(=C)C)OCC(O)(C(C)C1)O2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 348.439

CB1 binding score: -14.042

InChIKey:
MKLVKAPYJKXZFJ-UHFFFAOYSA-N

ID: 122283

SMILES:
Brc1c(O)c2c(cc1CCCCC)OC(C)(C)C1CCC(C)=CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 393.365

CB1 binding score: -15.396

InChIKey:
IRSVNXDXCLUGHD-UHFFFAOYSA-N

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122263–122283 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