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Molecule Identifiers
Molecular Properties

ID: 130852

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.404

CB1 binding score: -18.374

InChIKey:
FYEVCSFOWVVFOK-UHFFFAOYSA-N

ID: 130853

SMILES:
CC(=CC1c2c(O)cc(CCCCC)cc2OC1(C)C)CCC=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.55

CB1 binding score: -17.257

InChIKey:
ASOSTQHDCAWCIB-UHFFFAOYSA-N

ID: 130854

SMILES:
C(OC)c1c(C2C=C(C)CCC2C(C)=C)c(O)ccc1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 272.388

CB1 binding score: -13.845

InChIKey:
NSZMYGZBCHOMNN-UHFFFAOYSA-N

ID: 130855

SMILES:
C1C(C)(C)CC2=C1c1c(O)cc(C)cc1OC(C)(C)CC2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -14.558

InChIKey:
KFLROEPIVJFMTK-UHFFFAOYSA-N

ID: 130856

SMILES:
O=C(c1cc(O)c(C(C)=O)c2c1-c1c(O)cc(CCCCC)cc1OC2(C)C)OC

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 412.482

CB1 binding score: -15.572

InChIKey:
MCQAZCYXMLKIPO-UHFFFAOYSA-N

ID: 130857

SMILES:
C(c1cc2c(cc1)OC(C)(C)C1C2C=C(C)CC1)O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -17.469

InChIKey:
OAWSMUKCJOEKJM-UHFFFAOYSA-N

ID: 130858

SMILES:
O=c1c2c(cccc1)C1C(C(C)(C)O2)CCC(C)=C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 256.345

CB1 binding score: -14.03

InChIKey:
DYYPDWGANFPCKE-UHFFFAOYSA-N

ID: 130859

SMILES:
C(CCCC)c1cc(O)c2c(c1)OC(C1CC(CCC=C(C)C)C=C(C(C)=O)C1)=CC(=O)C2CC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 478.673

CB1 binding score: -16.094

InChIKey:
UVGONXXWKKARQD-UHFFFAOYSA-N

ID: 130860

SMILES:
O(c1cc(COC(CC(C)C)=O)cc(OC)c1C1C=C(C)C(=O)C1)C1C(=CCC=C(C)C)CO1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 468.59

CB1 binding score: -15.177

InChIKey:
RWPWZZORHZXFBF-UHFFFAOYSA-N

ID: 130861

SMILES:
c1(C2C(=O)NC(CS(O)(=O)=O)C2=O)c(O)c2c(cc1CCCCC)OC(C)(C)C1CC=C(C)CC21C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 519.66

CB1 binding score: -13.472

InChIKey:
IAKRKZDDQNJGLL-UHFFFAOYSA-N

ID: 130862

SMILES:
C(C1=CC2C(CC1)C(C)(C)Oc1cc(CCCCC)cc(C(=O)O)c12)CO

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.505

CB1 binding score: -10.121

InChIKey:
BGZIWOMIURAYJS-UHFFFAOYSA-N

ID: 130863

SMILES:
C(Cc1c(O)c(CC=C(C)C)c(OC2(CCC=C(C)C)C(=O)C(C(=O)OC)=C(C)CC2)c(O)c1)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 484.633

CB1 binding score: -14.239

InChIKey:
AWIFLNSTINJDKZ-UHFFFAOYSA-N

ID: 130864

SMILES:
c12cc(Br)c(Br)c(OC)c1C1CC(C)=CCC1C(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 416.153

CB1 binding score: -12.458

InChIKey:
VSMJLWCTJNCQPG-UHFFFAOYSA-N

ID: 130865

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -19.815

InChIKey:
PCXRACLQFPRCBB-UHFFFAOYSA-N

ID: 130866

SMILES:
C1C(O)C(C)(C)Oc2cc(CCCC)cc(O)c21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 250.338

CB1 binding score: -19.121

InChIKey:
CVXVLENENUQXCN-UHFFFAOYSA-N

ID: 130867

SMILES:
C(CO)CCc1c(C(=O)O)c(O)c(C2C=C(C)CCC2C(C)=C)cc1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.451

CB1 binding score: -13.603

InChIKey:
CMRKBLZUYPVBDK-UHFFFAOYSA-N

ID: 130868

SMILES:
c1(C2C(C(C)=C)CCC(C)=C2)c(O)cc(C)cc1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 242.362

CB1 binding score: -19.801

InChIKey:
MISWBPJELUDMFI-UHFFFAOYSA-N

ID: 130869

SMILES:
C(C1(CC(c2ccc(O)cc2O)=O)c2c(cc(CCCCC)cc2O)OC1(C)O)(=C)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 426.509

CB1 binding score: -14.936

InChIKey:
OLHLARGYBIZEIA-UHFFFAOYSA-N

ID: 130870

SMILES:
CC(C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1OC)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.512

CB1 binding score: -21.398

InChIKey:
WPVARKYNWHKQMW-UHFFFAOYSA-N

ID: 130871

SMILES:
C=C(C)C1CCC(C)=CC1c1c(O)cc(C(C(C)CC)=O)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -17.49

InChIKey:
KAFUVOWRPJUDDG-UHFFFAOYSA-N

ID: 130872

SMILES:
C1(C)=CC(c2c(O)cc(CCC)oc2=O)C(C(C)=C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.387

CB1 binding score: -17.965

InChIKey:
XDPFNSCPELVIIV-UHFFFAOYSA-N

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130852–130872 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