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Molecule Identifiers
Molecular Properties

ID: 110377

SMILES:
C1(=C)C2(O)C(CC(C)=CC2)c2c(cc(CCCCC)cc2O)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.425

CB1 binding score: -16.059

InChIKey:
MVJWDVJQDLAACL-UHFFFAOYSA-N

ID: 110378

SMILES:
c1cc(C2C=C(C)CCC2C(C)=C)c(O)cc1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 228.335

CB1 binding score: -18.767

InChIKey:
FFUBTKRHDZNPRU-UHFFFAOYSA-N

ID: 110379

SMILES:
C1C(C)(C)C2C(c3c(cc(CCCCC)cc3O)C1)C=C(C)CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 326.524

CB1 binding score: -16.01

InChIKey:
PIQDGTGMRZQOMM-UHFFFAOYSA-N

ID: 110380

SMILES:
O1c2cc(C)cc(O)c2C2(CCC(C)=C2)C1(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 244.334

CB1 binding score: -17.936

InChIKey:
DTMDKCVGRZGUPV-UHFFFAOYSA-N

ID: 110381

SMILES:
C1(C)=CC2(OC)CC(C)CC2c2c(O)cc(CCCCC)cc2O1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -13.691

InChIKey:
BSJJDEHJFFUHKE-UHFFFAOYSA-N

ID: 110382

SMILES:
c1(O)c(O)cc(O)c(C2C=C(CCC=C(C)CCC=C(C)C)C=Cc3c(OC)cc(CCCCC)cc3O2)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 532.721

CB1 binding score: -12.261

InChIKey:
MJUBCMKKQYABIF-UHFFFAOYSA-N

ID: 110383

SMILES:
c1cc(O)c2c(c1)C1C(CCC(CO)=C1)C(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 260.333

CB1 binding score: -14.691

InChIKey:
QGGPVENYSWXOHP-UHFFFAOYSA-N

ID: 110384

SMILES:
CCCc1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)=CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -19.805

InChIKey:
CDBDULHNWQRYSY-UHFFFAOYSA-N

ID: 110385

SMILES:
C1(c2ccc(O)cc2)Oc2c(c(O)cc(CCCCC)c2)C2C=C(C)CCC12CO

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 408.538

CB1 binding score: -15.094

InChIKey:
HJMGANSOQMBBDR-UHFFFAOYSA-N

ID: 110386

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 110387

SMILES:
C1C(C)C2(Oc3c1c(O)cc(CCCCC)c3)C(C)C(C)CC2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -16.751

InChIKey:
KQQGZYGPKQSZKG-UHFFFAOYSA-N

ID: 110388

SMILES:
C(Cc1c(O)c(CC=C(CCC=C(C)C)C)c2c(c1O)C1C(CC=C(C)C1)C(C)(C)O2)CC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 452.679

CB1 binding score: -14.319

InChIKey:
KPOBXXUGXSKORO-UHFFFAOYSA-N

ID: 110389

SMILES:
C1C2(Cc3c(O)cc(CCCCCC)cc3O2)C(C(=C)CO)CCC1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.522

CB1 binding score: -15.954

InChIKey:
JKDCLXDAWGYCEZ-UHFFFAOYSA-N

ID: 110390

SMILES:
C(c1cc(O)c2c(c1)OC(C)(C)C1C2C=C(C)CC1)CCCCCCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.577

CB1 binding score: -18.138

InChIKey:
CUNZWRHOBZASJY-UHFFFAOYSA-N

ID: 110391

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 380.616

CB1 binding score: -14.309

InChIKey:
UZZYQFZABOMQRH-UHFFFAOYSA-N

ID: 110392

SMILES:
CC1(C)Oc2c(c(OC)c(CCCCC)cc2C)CCC(C)=CCC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.539

CB1 binding score: -16.591

InChIKey:
UPKNVYXEAHDPIW-UHFFFAOYSA-N

ID: 110393

SMILES:
c1(O)c2c(cc(C)c1)OC(C)(C)C1CC=C(C)CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -18.619

InChIKey:
MMZAEMNNHWYQKW-UHFFFAOYSA-N

ID: 110394

SMILES:
C12CC3Oc4c(c(O)cc(CCCCC)c4)C3C1(C)CCCC2(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.523

CB1 binding score: -14.694

InChIKey:
RYQDQMBWKPZNIJ-UHFFFAOYSA-N

ID: 110395

SMILES:
COc1cc(CCCC)cc(O)c1C1OC(C)(C)C23C(C=C(C)CC2)OC(C)(CC3)C1OC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 458.639

CB1 binding score: -14.028

InChIKey:
WYXOUOQWXKEYJL-UHFFFAOYSA-N

ID: 110396

SMILES:
Oc1c(C2C(C(C)=C)CCC(C)=C2)c(OC(=O)C)c(C)cc1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.398

CB1 binding score: -13.224

InChIKey:
FMYQLESCTRBSLJ-UHFFFAOYSA-N

ID: 110397

SMILES:
C(=O)c1c2c(c(OC)cc1)OC(C)(C)C1CC=C(C)CC21

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.371

CB1 binding score: -13.833

InChIKey:
GLTSHIRMSNCJEA-UHFFFAOYSA-N

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110377–110397 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