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Molecule Identifiers
Molecular Properties

ID: 110734

SMILES:
C123C(CC(C)=C1)C(OC2C1OC1(C)C)c1c(O)cc(C)cc1C(=O)O3

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.391

CB1 binding score: -15.519

InChIKey:
DZGYNBRPIBVTOI-UHFFFAOYSA-N

ID: 110735

SMILES:
C(CCC)Cc1cc(O)c(C2C=C(C)CCC2C(=C)C)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 110736

SMILES:
C(=O)(C)Oc1c2c(cc(CCCCC)c1)OC(C)(C)C1CC=C(C)CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.506

CB1 binding score: -18.166

InChIKey:
WPRGTCVOBXQUHO-UHFFFAOYSA-N

ID: 110737

SMILES:
C(CCC(C)=CCc1c(O)cc(CCC)cc1O)=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.431

CB1 binding score: -19.824

InChIKey:
YJYIDZLGVYOPGU-UHFFFAOYSA-N

ID: 110738

SMILES:
CC1(C)C2(CC=C(C)CC2)c2c(cc(CCCCC)cc2O)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -18.228

InChIKey:
XQYSGOVDVJLJAU-UHFFFAOYSA-N

ID: 110739

SMILES:
C(CCC=C(C)C)(=CCc1c(O)cc(CCCCCO)cc1OC(C)=O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 374.521

CB1 binding score: -15.414

InChIKey:
CBWMYOLGMNQQRC-UHFFFAOYSA-N

ID: 110740

SMILES:
C1C(C)=CC2c3c(O)c(CC=C(C)CCC=C(C(=O)CC=C(C)C)C)c(O)cc3OC2C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 436.592

CB1 binding score: -13.09

InChIKey:
SOZNQSHAFVYHER-UHFFFAOYSA-N

ID: 110741

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -14.871

InChIKey:
GVBOPFWGWWXFRA-UHFFFAOYSA-N

ID: 110742

SMILES:
CC1(C)Oc2c(c(O)cc(CCCCC)c2)C2C1CCC(C)=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 110743

SMILES:
C(c1cc(OC(C(CC)C)=O)c(C)c(Oc2cc(OC)cc(CC=C)c2)c1)C1C=C(C)CCC1C(C)=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 502.695

CB1 binding score: -15.193

InChIKey:
RZSRGFZKQXIPCU-UHFFFAOYSA-N

ID: 110744

SMILES:
C1(CO)=CC2c3c(O)cc(CCc4ccccc4)cc3OC(C)(C)C2C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 350.458

CB1 binding score: -16.046

InChIKey:
GTUHENBKVUQPCR-UHFFFAOYSA-N

ID: 110745

SMILES:
CC1(C)C2CCC(CO)=CC2c2c(cc(CCCCC)cc2OC)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -18.153

InChIKey:
FHFWMWLGGRCLAF-UHFFFAOYSA-N

ID: 110746

SMILES:
C(CC)CCc1cc(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: 110747

SMILES:
C1(C)(C)Oc2cc(CCCCC)cc(O)c2C2C1C(=C)CCC2C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.55

CB1 binding score: -16.812

InChIKey:
JTHHZPIOAQJTND-UHFFFAOYSA-N

ID: 110748

SMILES:
C(Cc1cc2c(cc1)OC(C)(C)C1C2C=C(COC(=O)C)CC1)(C)=O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.435

CB1 binding score: Not available

InChIKey:
USXJSZINBAEBAX-UHFFFAOYSA-N

ID: 110749

SMILES:
C(O)(=O)Cc1cc(O)c(CC=C(CCC=C(C)CCC=C(C)C)C)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids;Tetraketide meroterpenoids

MW: 372.505

CB1 binding score: -17.443

InChIKey:
DVKQDVPBGLVMDY-UHFFFAOYSA-N

ID: 110750

SMILES:
C12(C(C)(C)Oc3cc(CCCO)c(C=O)c(O)c31)CCC(C)=CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.424

CB1 binding score: -12.075

InChIKey:
TXYDAMYQLHONCS-UHFFFAOYSA-N

ID: 110751

SMILES:
O1c2c(O)c(O)cc(CCCCC)c2C2C(C(C)=C)CCC1(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.44

CB1 binding score: -15.367

InChIKey:
JMXYDHHVMOQJHZ-UHFFFAOYSA-N

ID: 110752

SMILES:
C1C2C(C)=CC3C(C(C)(C)Oc4cc(CCCCC)cc(C(=O)OC)c41)C23

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 368.517

CB1 binding score: -13.187

InChIKey:
JFBIDTJLOVUWLA-UHFFFAOYSA-N

ID: 110753

SMILES:
c12cc(C)c(O)cc1-c1c(cc(CCCCC)cc1O)OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 326.436

CB1 binding score: -17.792

InChIKey:
OVLCNLKQINIQNN-UHFFFAOYSA-N

ID: 110754

SMILES:
c1(O)cc(C)c(C(=O)CC(C)CCCC2=CCC(C(=C)C)CC2)cc1O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.506

CB1 binding score: -14.435

InChIKey:
MKUBDPDTNIZPQJ-UHFFFAOYSA-N

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110734–110754 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