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Molecule Identifiers
Molecular Properties

ID: 73732

SMILES:
c1(-c2c(O)cc(CCCCC)cc2O)cc2c(c(O)c1)CC(C(C)=C)C1CC(C)(CC1)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 436.592

CB1 binding score: -14.625

InChIKey:
HBYNAVQDICYWPK-UHFFFAOYSA-N

ID: 73733

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -16.502

InChIKey:
VEGVDDPPKMTGAL-UHFFFAOYSA-N

ID: 73734

SMILES:
O1c2cc(CCCCC)cc(O)c2C2CC(CC=C1C)C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -13.112

InChIKey:
NDNRXNPLENCGOU-UHFFFAOYSA-N

ID: 73735

SMILES:
C(COc1c(C)cc(O)c(CC=C(C)CCC=C(C)C)c1)CN

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 317.473

CB1 binding score: -14.264

InChIKey:
PMHQYQGMBMZPHI-UHFFFAOYSA-N

ID: 73736

SMILES:
C(C)(c1c(O)c(C(C(C)CCCCCCC)C)c2c(c1O)C(=CC(C)C)OC(C)(C)C1C2)CC1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 484.765

CB1 binding score: -13.739

InChIKey:
LBLSBGNDRWYTHE-UHFFFAOYSA-N

ID: 73737

SMILES:
CC1(C)C2CC=C(C)CC2c2c(cc(CCCCC)cc2O)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.121

InChIKey:
HCAWPGARWVBULJ-UHFFFAOYSA-N

ID: 73738

SMILES:
C(CCc1cc(O)c(CC=C(C)CCC=C(C)C)c(O)c1)C=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids;Tetraketide meroterpenoids

MW: 342.523

CB1 binding score: -18.105

InChIKey:
APNLZBJARSTBFQ-UHFFFAOYSA-N

ID: 73739

SMILES:
C(C(C)=CCCC1(C)Oc2c(c(O)cc(CCCCC)c2)C=C1)CC1=CCOC1=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 410.554

CB1 binding score: -14.975

InChIKey:
RZANKKKIVMBBRO-UHFFFAOYSA-N

ID: 73740

SMILES:
C12=C(c3c(cc(CCCCC)cc3O)OC1(C)C)CC(C)C2=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.425

CB1 binding score: -18.797

InChIKey:
RRDGRYPQJSYRLC-UHFFFAOYSA-N

ID: 73741

SMILES:
c1(-c2c(O)cc(C)cc2)cc(CCCCC)cc2c1C1C(COC(C)=O)(C)CCC1(C)CCC2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 462.674

CB1 binding score: -15.476

InChIKey:
JJJOEKSDRMYFBJ-UHFFFAOYSA-N

ID: 73742

SMILES:
C12(C)Oc3c(c(O)cc(CCCCC)c3)C(O)(C1)C(=C)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.387

CB1 binding score: -16.073

InChIKey:
XURMGSAWQJZIJE-UHFFFAOYSA-N

ID: 73743

SMILES:
C1(O)CC(C)=CC2C1C(C)(C)Oc1cc(C)ccc12

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -16.43

InChIKey:
FESNAKVYURGNAE-UHFFFAOYSA-N

ID: 73744

SMILES:
CC1(C)C2CC3(C1(C)C(=O)CC3)Oc1c(c(O)cc(CCCCCC)c1)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.533

CB1 binding score: -14.925

InChIKey:
ANXBJAUDQYFRND-UHFFFAOYSA-N

ID: 73745

SMILES:
c12c(cc(CCCCC)cc1)OC(C)(C)C1C2C=C(C=O)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 312.453

CB1 binding score: -16.527

InChIKey:
KASCKCIGUNOYCI-UHFFFAOYSA-N

ID: 73746

SMILES:
CC1=C(OC)c2c(c(O)c1C(=O)CC(CCC=C(C)C)=C)OC(C)(C)C1C2C=C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 438.608

CB1 binding score: -13.975

InChIKey:
PMTLFPKCAJTKRS-UHFFFAOYSA-N

ID: 73747

SMILES:
c1(O)cc(CC=C(C)CCC=C(C)C)c2c(c1)OC(C)(C)C1CCC(C)=CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 380.572

CB1 binding score: -15.929

InChIKey:
IAMOHXNFKTYSDD-UHFFFAOYSA-N

ID: 73748

SMILES:
OC(c1c(CCO)ccc2c1-c1c(O)cc(CCCCC)cc1OC2(C)CCC=C(C)C)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 452.591

CB1 binding score: -16.461

InChIKey:
JJCPISPGZSQJHF-UHFFFAOYSA-N

ID: 73749

SMILES:
C1(C)=CC2C(C(C)(C)Oc3c(C(=O)C(C)CC)c(O)c(CC=C(C)C)c(O)c32)C2C1(O)CC(O)C(C)=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 510.671

CB1 binding score: -16.502

InChIKey:
CTDWKXUKWMKVIM-UHFFFAOYSA-N

ID: 73750

SMILES:
C(CCCC)c1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 73751

SMILES:
C12=CCCC(C)(C)C1Cc1c(cc(CCCCC)c(C(=O)OC(=O)C)c1O)OC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 400.515

CB1 binding score: -15.037

InChIKey:
CKXALRXQGFAJLS-UHFFFAOYSA-N

ID: 73752

SMILES:
C(C)CCc1cc(O)c2c(c1)OC(C)(C)C1OC1C(C(C)=C)=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.425

CB1 binding score: -15.416

InChIKey:
HSFKTCTVLAGOOR-UHFFFAOYSA-N

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73732–73752 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