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Molecule Identifiers
Molecular Properties

ID: 139777

SMILES:
O1C(C)(C)C2Oc3cc(O)cc(CCCCC)c3C2CC1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 290.403

CB1 binding score: -15.453

InChIKey:
ZWBLCLYIGIRKHM-UHFFFAOYSA-N

ID: 139778

SMILES:
C(C)(C1CCC(CO)=CC1c1c(O)cc(CC)cc1O)(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.43

CB1 binding score: -14.605

InChIKey:
SENYFCZBAOHJDG-UHFFFAOYSA-N

ID: 139779

SMILES:
C(=C(C1CC=C2C3(C)C(=C(C)C=C2)C(=O)CC3C(C)(C)OC1=O)C)C=CC(C)(O)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 410.554

CB1 binding score: -15.352

InChIKey:
HQBFSWVGYBIHOQ-UHFFFAOYSA-N

ID: 139780

SMILES:
c1c(O)cc2c(c1)OC(C)(C)C1CC=C(C)CC21

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 244.334

CB1 binding score: -19.07

InChIKey:
LIEZPCZOEMYUIR-UHFFFAOYSA-N

ID: 139781

SMILES:
C1(O)C(C)=CCC2C1c1c(cccc1O)OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 260.333

CB1 binding score: -14.864

InChIKey:
CBXLOAOHIWLVMG-UHFFFAOYSA-N

ID: 139782

SMILES:
C1CC(C)=CC(c2c(O)cc(CCC)cc2O)C1C(C)=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -19.532

InChIKey:
REOZWEGFPHTFEI-UHFFFAOYSA-N

ID: 139783

SMILES:
C1(C)(C)Oc2c(c(O)cc(CCCCC)c2)C2C=C(C)CCC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 139784

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids;Tetraketide meroterpenoids

MW: 314.469

CB1 binding score: -18.687

InChIKey:
WLQHMAXRUPMVPI-UHFFFAOYSA-N

ID: 139785

SMILES:
C1(c2c(O)cc(CCCCC)cc2O)C(C(C)C)CCC2(C)CCC(=O)C(C)=C12

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 398.587

CB1 binding score: -14.116

InChIKey:
NYJXJVGGFVMZTR-UHFFFAOYSA-N

ID: 139786

SMILES:
C1C(O)C2(C)Oc3c(c(O)cc(C)c3)C3C2C(C)(C1=O)C(O)CC3C(=C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.461

CB1 binding score: -14.984

InChIKey:
XGSKNYOEYBEBMO-UHFFFAOYSA-N

ID: 139787

SMILES:
CC1(C)CCC=C(C)C1CCC(C)=CCc1c(O)cc(CCCCC)cc1OC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 398.631

CB1 binding score: -15.916

InChIKey:
LUGGOGMTUPAXCP-UHFFFAOYSA-N

ID: 139788

SMILES:
C1(C)(O)C(=O)c2c(O)cc(CCCCC)cc2OC1(C)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 292.375

CB1 binding score: -14.24

InChIKey:
VTDSLPIOWQIMNZ-UHFFFAOYSA-N

ID: 139789

SMILES:
C(c1cc(O)c2c(c1)OC(C)(C)C1=C2C(OC(=O)C)C(C)CC1)CCCC

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.505

CB1 binding score: -15.64

InChIKey:
BWVADQFURXXXJQ-UHFFFAOYSA-N

ID: 139790

SMILES:
CC(C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1O)(O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -19.812

InChIKey:
FTDORWGKHUOHKJ-UHFFFAOYSA-N

ID: 139791

SMILES:
C(c1cc(O)c2c(c1)OC(C)(C)C1=C2C(=O)C(C)CC1)CC

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.398

CB1 binding score: -17.352

InChIKey:
SCBXGWCGTJNXFA-UHFFFAOYSA-N

ID: 139792

SMILES:
C1(C)=CCC2C(C)(C)Oc3cc(CCCCC)cc(O)c3C2C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.121

InChIKey:
HCAWPGARWVBULJ-UHFFFAOYSA-N

ID: 139793

SMILES:
C12=C(C(C)=CC1=O)CCC(CCC1(C)C=Cc3c(c(C)cc(O)c3)O1)(C)OO2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 382.456

CB1 binding score: -14.929

InChIKey:
NHRXHDHLOSIOIY-UHFFFAOYSA-N

ID: 139794

SMILES:
C(c1ccc2c(c1)OC(C)(C)C1C2C=C(C)CC1)CCCCO

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -15.335

InChIKey:
GXMRIDKWKBZJDP-UHFFFAOYSA-N

ID: 139795

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.386

CB1 binding score: -17.876

InChIKey:
YPEFKPHWARTVSK-UHFFFAOYSA-N

ID: 139796

SMILES:
c12c(OC)c(OC)cc(OC)c1C1C(CCC(CO)=C1)C(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 334.412

CB1 binding score: -18.368

InChIKey:
OCAIYUHVEITEKF-UHFFFAOYSA-N

ID: 139797

SMILES:
O1c2cc(O)c(C(C)=O)c(O)c2C2C=C(C)CCC2C1(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.37

CB1 binding score: -16.973

InChIKey:
KJAIZRHSRWNTDV-UHFFFAOYSA-N

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139777–139797 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