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Molecule Identifiers
Molecular Properties

ID: 105904

SMILES:
C(Oc1cc(O)cc(CCCCC)c1)=C(C)CCC=C(CCC=C(C)C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.577

CB1 binding score: -15.812

InChIKey:
BOKPQCHSDZFCOJ-UHFFFAOYSA-N

ID: 105905

SMILES:
CC1C2Cc3c(O)cc(CCCCC)cc3OC2(C)CCC1=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -15.9

InChIKey:
IBKWEIXMPJWQAJ-UHFFFAOYSA-N

ID: 105906

SMILES:
OCC(c1cc(O)c2c(c1)OC(C)(C)C1C2CC=C(C)C1)=O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.37

CB1 binding score: -13.296

InChIKey:
XCJAMQAUEXCGLN-UHFFFAOYSA-N

ID: 105907

SMILES:
C1CC(C)=CC(c2c(O)cc(CCCCC)cc2OC)C1C(C)(O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.511

CB1 binding score: -18.309

InChIKey:
KQWJMEAIWXADAY-UHFFFAOYSA-N

ID: 105908

SMILES:
C1(C)=CC2C(CC1)C(C)(C)Oc1c2c(O)ccc1O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 260.333

CB1 binding score: -18.988

InChIKey:
FDECQIAQAVZRFF-UHFFFAOYSA-N

ID: 105909

SMILES:
C(=Cc1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)=CC1)C(O)CCC=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 382.544

CB1 binding score: -17.526

InChIKey:
HSOIAHJBVYMSAT-UHFFFAOYSA-N

ID: 105910

SMILES:
CCCc1cc(O)c(C2C=C(C)CCC2C(C)=C)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -19.532

InChIKey:
REOZWEGFPHTFEI-UHFFFAOYSA-N

ID: 105911

SMILES:
O=C(c1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)=CC1)O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.343

CB1 binding score: -19.487

InChIKey:
BUCRJAYMJBXTKD-UHFFFAOYSA-N

ID: 105912

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 384.604

CB1 binding score: -19.572

InChIKey:
KKASRYPDNSSAPZ-UHFFFAOYSA-N

ID: 105913

SMILES:
c12cc(CCCCC)cc(OC)c1C1C(C(O)(C)CC3C(C1OC(C)=O)C(C)C(=O)O3)O2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 446.54

CB1 binding score: -14.906

InChIKey:
DGVIFMGDOWGWCE-UHFFFAOYSA-N

ID: 105914

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -19.315

InChIKey:
WTRKRGRMUBVMKA-UHFFFAOYSA-N

ID: 105915

SMILES:
CCCCCc1cc(O)c(C2C(C(=C)C)CCC(C)=C2)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 105916

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -18.431

InChIKey:
YOPNEMNEITVXDO-UHFFFAOYSA-N

ID: 105917

SMILES:
C1(C(C)=C)CCC(C)=CC1c1c(CCCC)cc(O)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -16.773

InChIKey:
GVVMQETWTXZBJQ-UHFFFAOYSA-N

ID: 105918

SMILES:
OC(c1cc(O)c2c(c1)OC(CCC=C(C)CCC=C(C)C)(C)C=C2)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.506

CB1 binding score: -16.495

InChIKey:
RMMZTFZBKCEZKD-UHFFFAOYSA-N

ID: 105919

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 105920

SMILES:
c1(CCCCC)c(C(O)=O)c(O)c(C2C=C(C)CCC2C(C)=CC=CC(C)(O)C)cc1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 426.597

CB1 binding score: -15.533

InChIKey:
VGHGDHMXINULNU-UHFFFAOYSA-N

ID: 105921

SMILES:
Oc1c(C(CC(C)C)=O)c(O)c(C2C=C(C)CCC2C(C)=C)cc1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -16.279

InChIKey:
ADSBNSOLDWQMRX-UHFFFAOYSA-N

ID: 105922

SMILES:
C1C(C)=CC(c2c(O)cc(CCC)cc2O)C(C(C)=C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -19.532

InChIKey:
REOZWEGFPHTFEI-UHFFFAOYSA-N

ID: 105923

SMILES:
C(CCCC)c1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 105924

SMILES:
C(C)(C1CCC(C)(O)C(O)C1c1c(O)cc(CCCCC)cc1O)CC

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 364.526

CB1 binding score: -14.605

InChIKey:
LTJBSESTOOJSEL-UHFFFAOYSA-N

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105904–105924 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