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Molecule Identifiers
Molecular Properties

ID: 93409

SMILES:
C1(C(C)C)C(c2c(O)cc(CCCCC)cc2)C=C(C)C(=O)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -16.713

InChIKey:
GDACQYDZSRKHOS-UHFFFAOYSA-N

ID: 93410

SMILES:
C(CCC(=CCc1cc(O)cc(C)c1O)C)C(CCC=C(C)C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.512

CB1 binding score: -19.162

InChIKey:
GVVUQQWWMGBFAL-UHFFFAOYSA-N

ID: 93411

SMILES:
C1C(C)CCC(C(C)C)C1c1c(O)cc(CCCC)cc1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.475

CB1 binding score: -21.341

InChIKey:
ACXIVYYRJFJYHU-UHFFFAOYSA-N

ID: 93412

SMILES:
COc1c(CCCCC)c(-c2ccccc2)c(O)c2c1OC(C)(C)C1CCC(C)=CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 420.593

CB1 binding score: -14.108

InChIKey:
FGPNVGOIYUFUCC-UHFFFAOYSA-N

ID: 93413

SMILES:
c1c(O)cc(OC)c(C2C=C(C)CCC2C(=C)C)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -18.701

InChIKey:
QFYIYBNVAPLEFO-UHFFFAOYSA-N

ID: 93414

SMILES:
c1(CC2C(C)(C)O2)c(O)c2c(c(CC=C(C)CCC=C(C)C)c1O)OC(C)(C)C1C2C=C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids;Tetraketide meroterpenoids

MW: 480.689

CB1 binding score: -15.462

InChIKey:
HBTFMIWJFROQAO-UHFFFAOYSA-N

ID: 93415

SMILES:
c12c(O)cc(CCCCC)cc1OC(C)(C)c1c-2cc(C)cc1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 310.437

CB1 binding score: -19.554

InChIKey:
VBGLYOIFKLUMQG-UHFFFAOYSA-N

ID: 93416

SMILES:
CCCCCc1cc2c(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: 93417

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

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.506

CB1 binding score: -18.263

InChIKey:
NQRBIQSJPQKHOE-UHFFFAOYSA-N

ID: 93418

SMILES:
O=C1C2(c3c(cc(CCCCC)cc3O)O1)CCC2C(C)=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.398

CB1 binding score: -15.487

InChIKey:
LJYWXPWAXFOLQO-UHFFFAOYSA-N

ID: 93419

SMILES:
C(C=C(CC(O)C=C(C)C)C)c1c(O)c(C(=O)O)c(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 376.493

CB1 binding score: -17.677

InChIKey:
FYUMLDZFQYVKKK-UHFFFAOYSA-N

ID: 93420

SMILES:
C1(OC(=O)C)CC(C)C23C(OOC(C)(C)C2C1)c1c(cc(C)cc1O)O3

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 362.422

CB1 binding score: -15.423

InChIKey:
CCQIYARYMGOFAK-UHFFFAOYSA-N

ID: 93421

SMILES:
C=CCc1cc2c(c(O)c1)C1C=C(C)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 284.399

CB1 binding score: -18.166

InChIKey:
FGEQAFJXCIBXCD-UHFFFAOYSA-N

ID: 93422

SMILES:
CC1=CC2C(C(C)(C)Oc3cc(C)ccc32)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 242.362

CB1 binding score: -19.037

InChIKey:
TWNNHTGNOPUEHO-UHFFFAOYSA-N

ID: 93423

SMILES:
OC(Oc1c2c(cc(CCCCC)c1)OC(C)(C)C1CCC(C)=CC21)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.522

CB1 binding score: -16.554

InChIKey:
IXKKYBREIBPGEH-UHFFFAOYSA-N

ID: 93424

SMILES:
C1C(C)=CC2c3c(O)cc(CCCCC)cc3OC(C)(C)C2C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 93425

SMILES:
c12c(c(OC)cc(C3C(C(C)=C)CCC(C)=C3)c1)C1C(C)CCC1C(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 380.572

CB1 binding score: -12.646

InChIKey:
NGHGXZCPCAQIBE-UHFFFAOYSA-N

ID: 93426

SMILES:
CC1CC=C(CCCC)C=C1Cc1cc2c(c(O)c1)C1C(CCC(C)=C1)C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 406.61

CB1 binding score: -15.272

InChIKey:
XQXOXOQOASDZDG-UHFFFAOYSA-N

ID: 93427

SMILES:
c1(O)c(C(C(C)C)=O)c2c3c(cc(CCCCC)c2)OC(C)(C)C13

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -15.662

InChIKey:
FQXZDPCDNRKMLK-UHFFFAOYSA-N

ID: 93428

SMILES:
C1=CC(C)(C)CCC2(C(=O)C1C)Oc1c(c(O)cc(CCCCC)c1)C2=O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.489

CB1 binding score: -12.189

InChIKey:
GWSWECPNBFYDEA-UHFFFAOYSA-N

ID: 93429

SMILES:
Oc1cc(CCCC)cc2c1C1C=C(C)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -20.843

InChIKey:
QHCQSGYWGBDSIY-UHFFFAOYSA-N

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93409–93429 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