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Molecule Identifiers
Molecular Properties

ID: 120352

SMILES:
CCCCCc1cc2c(c(O)c1)C1CC(C)=CC3CC(C)(C)C3(O1)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 340.507

CB1 binding score: -14.747

InChIKey:
SJQTZMTZPGHBGD-UHFFFAOYSA-N

ID: 120353

SMILES:
C(O)(C)(C1CCC(C)CC(=O)c2c(O)cc(CCCCC)cc2O1)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 348.483

CB1 binding score: -15.916

InChIKey:
NJGQBOAAAKJDQN-UHFFFAOYSA-N

ID: 120354

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

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 262.393

CB1 binding score: -16.199

InChIKey:
QAISOJNEAZNCCQ-UHFFFAOYSA-N

ID: 120355

SMILES:
c1(CC)c2c(cc(C)c1)C1C(C(C)(C)O2)CCC(C)=C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 270.416

CB1 binding score: -14.767

InChIKey:
XBUXRAOKBQNQFP-UHFFFAOYSA-N

ID: 120356

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

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.413

CB1 binding score: -17.28

InChIKey:
SGHLDWXNFNXDJR-UHFFFAOYSA-N

ID: 120357

SMILES:
Oc1c(C=O)c(O)c(C2C=C(C)CCC2C(CCC=C(C)C)C)c(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 412.614

CB1 binding score: -13.651

InChIKey:
ZMGKBXDLSUQLDO-UHFFFAOYSA-N

ID: 120358

SMILES:
c1(O)c2c(cc(CCCCC)c1)OC(C)(C)C1CCC(C)=CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 120359

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -18.979

InChIKey:
GKVOVXWEBSQJPA-UHFFFAOYSA-N

ID: 120360

SMILES:
c12ccc(OC)c(OC)c1OC(C)(C)C1CCC(C)=CC21

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.387

CB1 binding score: -16.672

InChIKey:
RXIOJFHZIGQHTO-UHFFFAOYSA-N

ID: 120361

SMILES:
C1(=O)C(C)(C)C23C(=O)c4c(O)cc(C)cc4OC(C)(C)C2CC1OC3

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.407

CB1 binding score: -11.925

InChIKey:
RGQQJUHTCJNJSZ-UHFFFAOYSA-N

ID: 120362

SMILES:
C1C(C(=C)C)C(c2c(O)cc(CCC)cc2O)CC(C)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -18.748

InChIKey:
ORIYPICUSOGUOA-UHFFFAOYSA-N

ID: 120363

SMILES:
C12CC(C(C)C)C(O)CC1(C)Oc1cc(CCCCC)cc(O)c12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -15.778

InChIKey:
VFJVGDZPOONWCK-UHFFFAOYSA-N

ID: 120364

SMILES:
C1C(C(C)C)C(c2c(O)cc(CCC)cc2O)CC(C)=C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.431

CB1 binding score: -17.712

InChIKey:
SBLQFIJJHXJVBQ-UHFFFAOYSA-N

ID: 120365

SMILES:
c1c(C)c(OC)cc2c1-c1c(cc(CCCCC)cc1O)OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 340.463

CB1 binding score: -18.805

InChIKey:
FPNAYBZLIGJJAV-UHFFFAOYSA-N

ID: 120366

SMILES:
C(=C(C)COC(=O)C)CCC1(C)Oc2c(cc(O)cc2CCCCC)CC1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 390.52

CB1 binding score: -13.91

InChIKey:
OWAVKNLLJAZMFR-UHFFFAOYSA-N

ID: 120367

SMILES:
CC(=O)OC(C)(C)C1CCC(C)=CC1c1c(O)cc(CO)c(C(=O)CCC(C)(C)C)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 430.585

CB1 binding score: -15.32

InChIKey:
RYVBWHVUUXPZCT-UHFFFAOYSA-N

ID: 120368

SMILES:
C1(C)(C2Cc3cc(C(=O)O)ccc3OC2(C)C)C(C)C(C)C=CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -12.786

InChIKey:
SOUOFJRPDMGNFN-UHFFFAOYSA-N

ID: 120369

SMILES:
Oc1cc(CC=C(CCC=C(C)C)C)c(O)cc1CCCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -17.968

InChIKey:
RNKSQHRRYNTMIO-UHFFFAOYSA-N

ID: 120370

SMILES:
C1(CC=C(C)C)c2c(cc(CCCCC)cc2O)OC(C)(C)C1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -16.949

InChIKey:
MIBRBCQQVHXIHL-UHFFFAOYSA-N

ID: 120371

SMILES:
C(CC)Cc1cc(O)c2c(c1)OC(C)(C)C1C2CC(CO)=CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -20.193

InChIKey:
JBVDVYKKJWEHPH-UHFFFAOYSA-N

ID: 120372

SMILES:
CC12Oc3cc(C)cc(O)c3C1C=C(C)CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 230.307

CB1 binding score: -19.722

InChIKey:
JTHBMMWBTWDAFK-UHFFFAOYSA-N

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120352–120372 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