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Molecule Identifiers
Molecular Properties

ID: 136312

SMILES:
c1(C)cc2c(c(O)c1)C1(O)C(C(C)(C)O2)C(O)CC1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids;Miscellaneous meroterpenoids

MW: 278.348

CB1 binding score: -13.726

InChIKey:
CMEJHWDLDXVEFL-UHFFFAOYSA-N

ID: 136313

SMILES:
C1(C)(C)Oc2c(c(O)cc(CCCCC)c2)C2CC(C)=CCC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.121

InChIKey:
HCAWPGARWVBULJ-UHFFFAOYSA-N

ID: 136314

SMILES:
Cc1cccc2c1c1c(c(O)c2)C2C=C(C)CCC2C(C)(C)O1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 308.421

CB1 binding score: -15.411

InChIKey:
LDUCGOYWDQBSRB-UHFFFAOYSA-N

ID: 136315

SMILES:
C1CC(C2OC2(C)C)Oc2c1c1c(c(C)c2)c(O)cc(CCCO)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.435

CB1 binding score: -15.171

InChIKey:
IDSSICSETOLGIQ-UHFFFAOYSA-N

ID: 136316

SMILES:
CC1=CC(c2c(O)cc(C(CC(CCCCCCCCCCCC)CC(=O)O)=O)c(O)c2O)C(C(C)=C)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 542.757

CB1 binding score: -16.109

InChIKey:
QVQMFYFALMJQTP-UHFFFAOYSA-N

ID: 136317

SMILES:
C(Oc1cc(CCCCC)cc2c1C1C(CC=C(C)C1=O)C(C)=CC2=O)=C(CCC=C(C)CCC=C(C)C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 528.777

CB1 binding score: -14.913

InChIKey:
YTHQEXIWHDKKDS-UHFFFAOYSA-N

ID: 136318

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.523

CB1 binding score: -18.687

InChIKey:
RGXKCMQANRHRCO-UHFFFAOYSA-N

ID: 136319

SMILES:
C(=C(C)CCC=C(C1OC(C)(C)C=C1)C)Cc1cc(C)cc(O)c1O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.479

CB1 binding score: -16.355

InChIKey:
ANBTYVILVJKDIS-UHFFFAOYSA-N

ID: 136320

SMILES:
C(CCc1cc2c(c(O)c1)C1CC(C(=C)C)OC(C)(CC1)O2)CC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -15.12

InChIKey:
XBQTZUROGHBNQJ-UHFFFAOYSA-N

ID: 136321

SMILES:
C(CC(C1CCC(C)=CC1c1c(O)cc(CCC)cc1O)C)(C=C(C)C)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.533

CB1 binding score: -15.097

InChIKey:
LWYUELNZKAAHMD-UHFFFAOYSA-N

ID: 136322

SMILES:
C(N)Cc1cc(O)c(C2C=C(C)CCC2C(C)=O)c(O)c1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 289.375

CB1 binding score: -15.076

InChIKey:
OGCYFRLIBLZUNK-UHFFFAOYSA-N

ID: 136323

SMILES:
C(=O)C(c1cc(C(=O)O)cc2c1OC(C)(C)C1C2CC(C)=CC1)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.408

CB1 binding score: -15.658

InChIKey:
FNERNMNFAYTZMO-UHFFFAOYSA-N

ID: 136324

SMILES:
CC1(C)Oc2cc(CCCCC)cc(O)c2C2C=C(C)CCC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 136325

SMILES:
C(C)(C(=O)C(c1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12)C)(O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.478

CB1 binding score: -14.075

InChIKey:
BQLVGYNGCGKTOX-UHFFFAOYSA-N

ID: 136326

SMILES:
C(CCCC)Cc1cc2c(c(OC)c1)OC(C)(c1ccc(C)cc1O)CC2=O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 382.5

CB1 binding score: -14.689

InChIKey:
XDWQXWOFFUDHIE-UHFFFAOYSA-N

ID: 136327

SMILES:
C(Br)(Cc1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)=CC1=O)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 379.294

CB1 binding score: -15.001

InChIKey:
JQFZQNSBCQEZPF-UHFFFAOYSA-N

ID: 136328

SMILES:
c1(OCC=C(CCC=C(C)C)C)c(C(=O)OC2C(C(C)C)CCC(C)=C2)c(O)cc(CCCCC)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 496.732

CB1 binding score: -16.766

InChIKey:
YRBYLLRHCNIRKY-UHFFFAOYSA-N

ID: 136329

SMILES:
C1CC2CC(C1O)C(C)(C)Oc1cc(CCCCC)cc(O)c12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.457

CB1 binding score: -13.67

InChIKey:
OOASKNOSXSTJGC-UHFFFAOYSA-N

ID: 136330

SMILES:
C(CCCC)c1cc(O)c(C2C=C(C)CCC2C(C)=C)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 136331

SMILES:
Oc1c(C2CC(=C)CCC2C(C)=C)cc(CCCCC)cc1OC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -13.558

InChIKey:
OTFKVBOJLPMARV-UHFFFAOYSA-N

ID: 136332

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -19.532

InChIKey:
REOZWEGFPHTFEI-UHFFFAOYSA-N

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136312–136332 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