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Molecule Identifiers
Molecular Properties

ID: 106366

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 404.503

CB1 binding score: -15.116

InChIKey:
SAXXFMMVWZYGHY-UHFFFAOYSA-N

ID: 106367

SMILES:
C1C(O)C(C)(C)Oc2c1c(O)cc(CCC(CC)C)c2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 278.392

CB1 binding score: -15.063

InChIKey:
ONXAPIAHECDFEV-UHFFFAOYSA-N

ID: 106368

SMILES:
c1(O)cc(CCCCC)cc2c1C1C=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: 106369

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

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 454.607

CB1 binding score: -15.1

InChIKey:
MKHSYTCGLHRRHT-UHFFFAOYSA-N

ID: 106370

SMILES:
CCCCCc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)(O)C=C12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -18.296

InChIKey:
FZAGTOJLWTUWJG-UHFFFAOYSA-N

ID: 106371

SMILES:
CC(C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1OC)=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -19.302

InChIKey:
IPGGELGANIXRSX-UHFFFAOYSA-N

ID: 106372

SMILES:
C(=C(C)CCC=C(CCC=C(C)C)C)Cc1c(O)cc(CCc2cc(O)cc(O)c2)cc1O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 450.619

CB1 binding score: -18.243

InChIKey:
BEQKQOZTJNDTPG-UHFFFAOYSA-N

ID: 106373

SMILES:
C1CC(C(=C)C)C(c2c(O)cc(CCCCC)cc2OC)C=C1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -19.302

InChIKey:
IPGGELGANIXRSX-UHFFFAOYSA-N

ID: 106374

SMILES:
C(C1CC(=O)C2(C)C1C(O)CC1(C)Oc3cc(CCCCC)cc(O)c3C21)(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 400.559

CB1 binding score: -15.124

InChIKey:
ITMPCWLOVIDFKC-UHFFFAOYSA-N

ID: 106375

SMILES:
C12c3c(O)cc(CCCCC)cc3OC(C)(C)C1CCC(CO)=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -19.121

InChIKey:
YCBKSSAWEUDACY-UHFFFAOYSA-N

ID: 106376

SMILES:
C1(C(O)(C)C)CCC(C)=CC1c1c(O)cc(CCCCC)cc1OC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.511

CB1 binding score: -18.309

InChIKey:
KQWJMEAIWXADAY-UHFFFAOYSA-N

ID: 106377

SMILES:
O(C)c1cc(CC=C(C)C)c(O)cc1CC=C(CCC=C(C)C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -19.159

InChIKey:
SNSOBJQITAPANC-UHFFFAOYSA-N

ID: 106378

SMILES:
C1C(C(=C)C)C(c2ccc(CCCCC)cc2)C=C(C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 282.471

CB1 binding score: -19.804

InChIKey:
VGBLUPCGCQUYRW-UHFFFAOYSA-N

ID: 106379

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: 106380

SMILES:
c1(C(C)C)c(O)cc2c(c1)OC(C)(C)C1C2CC(C)=CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -17.707

InChIKey:
YJEHFMPBBPFUKH-UHFFFAOYSA-N

ID: 106381

SMILES:
Oc1cc(CCCCC)cc2c1C1C(C3(C)CCCC(C)(C)C3CC1=O)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.533

CB1 binding score: -15.212

InChIKey:
YVASVBUPVTZAAS-UHFFFAOYSA-N

ID: 106382

SMILES:
Oc1c(C(O)=O)c(CCCCC)cc2c1-c1cc(C)ccc1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 354.446

CB1 binding score: -17.564

InChIKey:
KXKOBIRSQLNUPS-UHFFFAOYSA-N

ID: 106383

SMILES:
C(C)(c1cc(O)c2c(c1)OC(C)(C)C1CC=C(C)CC21)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -20.991

InChIKey:
VUUOQMIMZAXLBK-UHFFFAOYSA-N

ID: 106384

SMILES:
c1(O)c2c(cc(CCCC)c1)C1C(C(C)(O)CCC1C(C)=C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -16.04

InChIKey:
DNIQAARRVRKWCS-UHFFFAOYSA-N

ID: 106385

SMILES:
O=C1C2(C)Oc3c(c(O)cc(CCCCC)c3)C2C=C(C(C)C)C1=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.435

CB1 binding score: -13.231

InChIKey:
HDITWMYBTZPHRH-UHFFFAOYSA-N

ID: 106386

SMILES:
CC(=CCc1c(OC)cc(CCCCC)cc1O)CO

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 278.392

CB1 binding score: -17.429

InChIKey:
OOAVWYOYGYEXHP-UHFFFAOYSA-N

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106366–106386 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