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Molecule Identifiers
Molecular Properties

ID: 139294

SMILES:
c1c(C)c(O)c(C)c(C2C(C(=C)C)CCC(C)=C2)c1O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 272.388

CB1 binding score: -16.121

InChIKey:
ANJAKWFJVBCYHU-UHFFFAOYSA-N

ID: 139295

SMILES:
CC(C1C=CC(C)(O)CC1)(C)Oc1cc(CCCCC)cc(O)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -15.551

InChIKey:
QNLCRBWRUJXXSC-UHFFFAOYSA-N

ID: 139296

SMILES:
c1(C(OC)=O)c(O)c(C2C(C(=C)C)CCC(C)=C2)c(OC(=O)C(=CC)C)cc1C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 398.499

CB1 binding score: -11.933

InChIKey:
CTZIVKJBWBOXQS-UHFFFAOYSA-N

ID: 139297

SMILES:
C(Cc1cc(O)c(C2C(C(C)=C)CCC(C)=C2)c(O)c1)CC(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -17.655

InChIKey:
SZHRAJIVTRNORX-UHFFFAOYSA-N

ID: 139298

SMILES:
O1C(=O)c2c(cc(CCCCCC)cc2OC)C2C1(C)CCC2C(CCC=C(C)C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 426.641

CB1 binding score: -12.969

InChIKey:
XVKPULCYGMOJAC-UHFFFAOYSA-N

ID: 139299

SMILES:
c1(C(O)=O)c(O)c2c(cc1CCCCC)OC(C)(C)C1C2C=C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.478

CB1 binding score: -19.351

InChIKey:
UCONUSSAWGCZMV-UHFFFAOYSA-N

ID: 139300

SMILES:
C(CCc1cc(O)c2c(c1)OC(C)(C)c1ccc(C)cc12)(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 310.437

CB1 binding score: -16.383

InChIKey:
ZXKSYMYVWVYZNK-UHFFFAOYSA-N

ID: 139301

SMILES:
C(c1cc(O)c(C2(C)C(C)(C)CCC2)c(O)c1)CC(C)CCO

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 320.473

CB1 binding score: -15.395

InChIKey:
ZHLKWTPRTOOAIA-UHFFFAOYSA-N

ID: 139302

SMILES:
Oc1c(C(=O)C(C)C)c(C2C=C(C)CCC2C(C)=C)c(O)cc1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -15.44

InChIKey:
XWWMIOFTEHEWHL-UHFFFAOYSA-N

ID: 139303

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.398

CB1 binding score: -18.451

InChIKey:
YKQFRQCMTDTORX-UHFFFAOYSA-N

ID: 139304

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: 139305

SMILES:
C(CC)CCc1cc(O)c2c(c1CC=C(C)C)OC(C)(CCC=C(C)C)C=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 382.588

CB1 binding score: -15.702

InChIKey:
MUXYEWNTZXICPF-UHFFFAOYSA-N

ID: 139306

SMILES:
C1CC(C)=CC1c1c(O)cc(CCCCC)cc1OC

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.404

CB1 binding score: -16.211

InChIKey:
JPUKUVZVEGROFO-UHFFFAOYSA-N

ID: 139307

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -18.979

InChIKey:
GKVOVXWEBSQJPA-UHFFFAOYSA-N

ID: 139308

SMILES:
C(CC)Cc1cc(O)c(C2C3(C)C(=O)OC4CC(C)=CC(=O)C4C(C(=O)O)COC3=C2)cc1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 454.519

CB1 binding score: -12.537

InChIKey:
CCOAHOZOZVEDSE-UHFFFAOYSA-N

ID: 139309

SMILES:
CC1(C)C2CC=C(C(=O)O)CC2c2c(O)cc(C)cc2O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.343

CB1 binding score: -17.262

InChIKey:
KWBYVAMMMOKLPB-UHFFFAOYSA-N

ID: 139310

SMILES:
C1(OC2(C)CC=CC3C2C(C(C)=C)C(c2c(O)cc(CCCCC)cc2O)OC3=O)OC(CO)C(O)C(O)C1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 562.656

CB1 binding score: -15.434

InChIKey:
BRUDWERMVILYRR-UHFFFAOYSA-N

ID: 139311

SMILES:
c1(O)cc(O)c(C2C(C(C)=C)CCC(C)=C2)cc1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 244.334

CB1 binding score: -20.171

InChIKey:
HFDMGJLGHZDMNB-UHFFFAOYSA-N

ID: 139312

SMILES:
CC1(C)C2CC=C(C)CC2c2c(c(CCCCC)cc(C(=O)OC)c2O)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.505

CB1 binding score: -12.201

InChIKey:
RZUJFVQJZGYEOO-UHFFFAOYSA-N

ID: 139313

SMILES:
C1(=C)C(C)(CCC2(C)C=Cc3c(cc(O)cc3C)O2)C(C)C=CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 324.464

CB1 binding score: -16.198

InChIKey:
YBMUYAYTLLTCBV-UHFFFAOYSA-N

ID: 139314

SMILES:
C(CC)CCc1cc2c(c(O)c1)C1C=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

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139294–139314 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