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Molecule Identifiers
Molecular Properties

ID: 41434

SMILES:
C(C)CCCc1cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 41435

SMILES:
c12c(O)cc(CCCCC)cc1OC1(C)CCC2C(C)(C)CCC1C(C)=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.577

CB1 binding score: -16.438

InChIKey:
XZIORRYWQCYFOG-UHFFFAOYSA-N

ID: 41436

SMILES:
C(CC)CCc1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)=CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.121

InChIKey:
HCAWPGARWVBULJ-UHFFFAOYSA-N

ID: 41437

SMILES:
Oc1c2c(c(C(C(=O)OC)C)cc1C(C)C)OC(C)(C)C1C2C=C(C)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.505

CB1 binding score: -15.982

InChIKey:
WNZTVJLTTUNPML-UHFFFAOYSA-N

ID: 41438

SMILES:
c1(C=O)cc(CC=C(C)C)c2c(c1)OC(C)(C)C1CC=C(C)CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 324.464

CB1 binding score: -14.307

InChIKey:
IHNXRQRHBJRCSN-UHFFFAOYSA-N

ID: 41439

SMILES:
C(CCC)Cc1cc(O)c2c(c1)OC(C)(C)C1CC=C(C)CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.121

InChIKey:
HCAWPGARWVBULJ-UHFFFAOYSA-N

ID: 41440

SMILES:
c1(OC)cc2c(cc1O)OC(C)(C)C1CCC(C)=CC21

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.36

CB1 binding score: -17.112

InChIKey:
OTSLLDNPLNAKHW-UHFFFAOYSA-N

ID: 41441

SMILES:
OC(C)Cc1cc2c(c(O)c1)C1C(C(C)(C)O2)CCO1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 278.348

CB1 binding score: -12.351

InChIKey:
PTUFPMUPUAYWOG-UHFFFAOYSA-N

ID: 41442

SMILES:
C1=CC(C)(C)Oc2c(cc(CCCCC)cc2O)C1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 260.377

CB1 binding score: -17.279

InChIKey:
CITHMAMMZXGHAM-UHFFFAOYSA-N

ID: 41443

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids;Tetraketide meroterpenoids

MW: 314.469

CB1 binding score: -18.27

InChIKey:
PBVXSNIWCHRXCN-UHFFFAOYSA-N

ID: 41444

SMILES:
CC(C)=CCCC(=CCCC(C)=CCc1c(O)cc(CCc2ccc(O)cc2)cc1O)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 434.62

CB1 binding score: -19.427

InChIKey:
VVBVATXKSUVSTB-UHFFFAOYSA-N

ID: 41445

SMILES:
C1(C)=CC2C(C(C)(C)Oc3c(C(O)=O)c(C)cc(O)c32)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.37

CB1 binding score: -17.243

InChIKey:
FUIFGAFTCQIBQJ-UHFFFAOYSA-N

ID: 41446

SMILES:
C1CC=C(C)C2(Cc3c(OC)cc(CCCCC)cc3O2)C1(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -16.77

InChIKey:
AWYFZJDGRTZGOS-UHFFFAOYSA-N

ID: 41447

SMILES:
C1(=O)OC2C3OC13-c1c(O)cc(CCCCC)cc1OC2(C)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.369

CB1 binding score: -14.527

InChIKey:
DLPGAZDKDVYCKM-UHFFFAOYSA-N

ID: 41448

SMILES:
C1(CC2=CC(=O)C=C(CCCCC)C2=O)C(C(=C)C)CCC1=C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 312.453

CB1 binding score: -10.774

InChIKey:
VWOAPCZKZDLFJZ-UHFFFAOYSA-N

ID: 41449

SMILES:
CC1=CC2C(C(C)(C)Oc3c2c(O)cc(CCCCC)c3)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 41450

SMILES:
CC1=CC2C(C(C)(C)Oc3c2c(O)cc(O)c3C=O)C(CCCO)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.423

CB1 binding score: -13.596

InChIKey:
DOCJEIWLXJERSZ-UHFFFAOYSA-N

ID: 41451

SMILES:
C(CCCCc1cc(O)cc(O)c1)C(=O)C12CCC(C)(C(O)C1)C2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.494

CB1 binding score: -14.107

InChIKey:
XTSWDERERPWMGO-UHFFFAOYSA-N

ID: 41452

SMILES:
C1CC2(C)Oc3c(c(O)cc(CCCCC)c3)C3CC(C)(C)C3C12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -16.003

InChIKey:
GDIZAVIBVMIBQI-UHFFFAOYSA-N

ID: 41453

SMILES:
c12c(c(C(CCCCC)=O)c(O)cc1O)OC(C)(C)C1CCC(C)=CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.478

CB1 binding score: -17.078

InChIKey:
FMPPVWZYDZDDHB-UHFFFAOYSA-N

ID: 41454

SMILES:
C1(OC)c2c3c(cc(O)c2C(=O)C(C)(C)C1)OC(C)(C)C1C3C=C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.489

CB1 binding score: -13.187

InChIKey:
LNBUVXKMWVUNPQ-UHFFFAOYSA-N

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41434–41454 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