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Molecule Identifiers
Molecular Properties

ID: 135262

SMILES:
CC1(CC(CC=C(CCC=C(C)C)C)C)c2c(cc(CCCC)cc2O)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.577

CB1 binding score: -13.755

InChIKey:
KKQPFOAUUGJKRW-UHFFFAOYSA-N

ID: 135263

SMILES:
c1(C)cc(C2C(C(C)=C)CCC(C)=C2)c(O)c2c1OC(C(O)(C)C)C2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.479

CB1 binding score: -13.772

InChIKey:
IVWLTRHLVVFCCO-UHFFFAOYSA-N

ID: 135264

SMILES:
C1=Cc2c(c(O)cc(CCCCC)c2)C(C2(C)CCCC(C)(C)C2)C1(C)CC(=O)O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 412.614

CB1 binding score: -15.999

InChIKey:
YOLDJYDNRMUBRU-UHFFFAOYSA-N

ID: 135265

SMILES:
C12(C)Oc3c4c(cc5c3OC(C)(C)C1C2)OC1(C(C)C)OC=C(C)CCC15C4O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 398.499

CB1 binding score: -15.803

InChIKey:
APVHZKWIIIFGAM-UHFFFAOYSA-N

ID: 135266

SMILES:
C(=C)(C)C1C(OC(C)=O)C(=O)C(C)=CC1c1c(CC=C(C)C)c(C)cc(O)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 382.5

CB1 binding score: -13.432

InChIKey:
WGJKNOUZIONVCZ-UHFFFAOYSA-N

ID: 135267

SMILES:
C(CCc1ccc2c(c1)OC(C)(C)C1(O)CCC(C)=CC21)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -13.959

InChIKey:
MDMSAIMPLJIFES-UHFFFAOYSA-N

ID: 135268

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.387

CB1 binding score: -17.605

InChIKey:
VDMBWSOUBMFUFN-UHFFFAOYSA-N

ID: 135269

SMILES:
C(C1=C2c3c(c(C)c(CCCCC)cc3O)OC(C)(C)C2C=C1)(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 340.507

CB1 binding score: -15.08

InChIKey:
XFOURWUSRRKSGE-UHFFFAOYSA-N

ID: 135270

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

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.431

CB1 binding score: -17.712

InChIKey:
SBLQFIJJHXJVBQ-UHFFFAOYSA-N

ID: 135271

SMILES:
C12(O)CCC(C)C1C(c1c(O)cc(CCCCC)cc1O)C(C(C)=C)CC2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.549

CB1 binding score: -15.729

InChIKey:
YETMYXMROPGLGF-UHFFFAOYSA-N

ID: 135272

SMILES:
C12C(C)CCC1C(C)(C)Oc1c2c(O)cc(CCc2ccc(O)cc2)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 352.474

CB1 binding score: -19.27

InChIKey:
PTBAXEGTSYPMGP-UHFFFAOYSA-N

ID: 135273

SMILES:
Clc1c(C2C(C(=C)C)C(c3c(O)cc(CCCCC)cc3O)C=C(C)C2)ccc(O)c1OC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 471.037

CB1 binding score: -15.2

InChIKey:
ZDKAGGKXXZIVDL-UHFFFAOYSA-N

ID: 135274

SMILES:
c1(O)cc(CCCCC)cc2c1C1C=C(COC(=O)C)CCC1C2(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.506

CB1 binding score: -13.6

InChIKey:
MQTDMKNIQNYHLD-UHFFFAOYSA-N

ID: 135275

SMILES:
CC(c1cc(O)c(C2C=C(C)CCC2C(C)=C)c(OCc2ccc(C)cc2)c1)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 390.567

CB1 binding score: -13.621

InChIKey:
USECAWVKNNQTHM-UHFFFAOYSA-N

ID: 135276

SMILES:
C1C2C(C)(Oc3cccc4c3C(C(O)C(C(C)(C)OCC)O4)C2(C)C)C(=O)C=C1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 414.542

CB1 binding score: -13.187

InChIKey:
PYGFXLCYDJIHRE-UHFFFAOYSA-N

ID: 135277

SMILES:
C12Oc3c(c(O)cc(CCCCC)c3)C1C(O)CC1C2(C)CCCC1(C(OC1=C(C(C)C)CC(=O)OC1)=O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 540.697

CB1 binding score: -15.589

InChIKey:
AYTAFFZIOZHNFO-UHFFFAOYSA-N

ID: 135278

SMILES:
CC(C1CCC(=C)C2Oc3c(c(O)cc(CCCCC)c3)C12)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -17.4

InChIKey:
SISZHMSKMKARMQ-UHFFFAOYSA-N

ID: 135279

SMILES:
O1c2c(c(O)cc(CCCCC)c2)C2(CCC(C)=CC2Cc2cccc(C(=O)OC)c2)C1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 448.603

CB1 binding score: -12.748

InChIKey:
XGUFJQKGUMRSHG-UHFFFAOYSA-N

ID: 135280

SMILES:
c1(O)cc(CCCCC)cc2c1C1C(O)C(C)=CC1C2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -14.605

InChIKey:
ICVPDSGUOSCXSI-UHFFFAOYSA-N

ID: 135281

SMILES:
Oc1cc(CCCCC)cc2c1C1C(CCC1(C)O)C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.457

CB1 binding score: -18.762

InChIKey:
ICMJYQRNULRNTK-UHFFFAOYSA-N

ID: 135282

SMILES:
C1C2=C(CCC(C)=C1)C(C)(C)Oc1cc(CCCCC)cc(O)c12

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 326.48

CB1 binding score: -15.993

InChIKey:
YKOYWNQDJPOICW-UHFFFAOYSA-N

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135262–135282 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