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Molecule Identifiers
Molecular Properties

ID: 103447

SMILES:
C1(CC(C)=CCc2cc(O)ccc2O)C=C(C)CCC1C(=C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 312.453

CB1 binding score: -17.671

InChIKey:
SYENFNPILRIJJZ-UHFFFAOYSA-N

ID: 103448

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -19.666

InChIKey:
QXACEHWTBCFNSA-UHFFFAOYSA-N

ID: 103449

SMILES:
O1C(C(=CCCC(C)=CCc2cc(O)cc(C)c2O)C)CCC(C)=C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.479

CB1 binding score: -15.783

InChIKey:
UQIZXJJSVYNIQZ-UHFFFAOYSA-N

ID: 103450

SMILES:
OC(Oc1cc(CCCCC)cc2c1C1C=C(C)CCC1C(C)(C)O2)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.522

CB1 binding score: -16.554

InChIKey:
IXKKYBREIBPGEH-UHFFFAOYSA-N

ID: 103451

SMILES:
C1C2C(C)CCC(C(C)C)(Oc3cc(CCCC)cc(O)c32)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.512

CB1 binding score: -13.228

InChIKey:
YCENCDFHEWPWOC-UHFFFAOYSA-N

ID: 103452

SMILES:
c1(C)c(OC(C)=O)c(CC=C(CCC=C(C)C)C)c(O)c2c1c(CCCCC)cc(=O)c1c2OC(C)(C)C=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 532.721

CB1 binding score: -16.502

InChIKey:
IKWDERZBPRHJEK-UHFFFAOYSA-N

ID: 103453

SMILES:
c1(O)cc(CCC)cc2c1C1C(C2(C)C)CCC(C)=C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 270.416

CB1 binding score: -16.499

InChIKey:
SQNHNNAOWSEGCQ-UHFFFAOYSA-N

ID: 103454

SMILES:
Brc1c(O)cc2c(c1)C1C=C(C)CCC1C(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 323.23

CB1 binding score: -18.662

InChIKey:
OLWQGBDFFXCSTJ-UHFFFAOYSA-N

ID: 103455

SMILES:
Oc1cc(C#CC(C)=O)cc(O)c1C1C=C(C)CCC1C(C)=C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 310.393

CB1 binding score: -14.605

InChIKey:
BNNUPYSFDDTRQY-UHFFFAOYSA-N

ID: 103456

SMILES:
c1(CCCCC)cc2c(c(O)c1)C1C(C(C)C)CCC1(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.458

CB1 binding score: -18.251

InChIKey:
GIVNWDNDDALTHM-UHFFFAOYSA-N

ID: 103457

SMILES:
C(=Cc1cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)=C1)C(C)=CC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 324.464

CB1 binding score: -15.178

InChIKey:
MYCVMEHCHVKBFR-UHFFFAOYSA-N

ID: 103458

SMILES:
c1(O)c2c(cc(CCCCC)c1)OC(C)(C)c1c-2cc2c(c1)C(O)CC1C(C)(C)CCCC21C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 462.674

CB1 binding score: -12.768

InChIKey:
NJGZRNVNWAKQQS-UHFFFAOYSA-N

ID: 103459

SMILES:
c1(C(O)(C)C)cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC1=C2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.425

CB1 binding score: -14.419

InChIKey:
RIMZTENVYMCEGX-UHFFFAOYSA-N

ID: 103460

SMILES:
CC(c1c(O)c(C(=O)CC(C)C)c2c(c1)OC(C)(C)C1CCC(C)=CC12)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.533

CB1 binding score: -14.27

InChIKey:
VKRZOFRYFOAJSG-UHFFFAOYSA-N

ID: 103461

SMILES:
C1=C(C)C2(O)C3(CC(C)(C)CC1C3)c1c(cc(CCCCC)cc1O)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.506

CB1 binding score: -14.81

InChIKey:
GQGOSLRUPCDNHO-UHFFFAOYSA-N

ID: 103462

SMILES:
C1(=C)C2CCC(C)=CC2c2c(cc(CCCCC)cc2O)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 298.426

CB1 binding score: -16.782

InChIKey:
CPUOYVAXKAXEDL-UHFFFAOYSA-N

ID: 103463

SMILES:
C1(C)(C)C2CCC(C)C=C2c2c(O)cc(CCCCC)cc2O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -17.727

InChIKey:
YLTWYAXWDLZZCU-UHFFFAOYSA-N

ID: 103464

SMILES:
c1(OC)cc(O)cc(O)c1C1C=C(C)CCC1C(=C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.36

CB1 binding score: -18.218

InChIKey:
UZWBOVFGUISXLX-UHFFFAOYSA-N

ID: 103465

SMILES:
CC1(C)Oc2c(c(O)cc(CCCCC)c2)CC1O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 264.365

CB1 binding score: -19.729

InChIKey:
GIIVGKMZIUKMMN-UHFFFAOYSA-N

ID: 103466

SMILES:
C1(C)(C)C(O)CCC(C)=C1CCC1(C)c2c(O)cc(CCCCC)cc2OC1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 400.603

CB1 binding score: -16.935

InChIKey:
YICYLHQVFVJLOA-UHFFFAOYSA-N

ID: 103467

SMILES:
C1(CCC2(C)Oc3cc(C)cc(OC)c3C=C2)COC(C)(C)OC1(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids;Tetraketide meroterpenoids

MW: 360.494

CB1 binding score: -14.145

InChIKey:
KZWUFBZQLRYNFS-UHFFFAOYSA-N

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103447–103467 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