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Molecule Identifiers
Molecular Properties

ID: 84274

SMILES:
C12(C)C3C(C(C)C)(CC1)Oc1cc(O)c(c4cc(C)cc(O)c41)OC(C)(C)C2C3

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 396.527

CB1 binding score: Not available

InChIKey:
XMQJBLCSNURDNR-UHFFFAOYSA-N

ID: 84275

SMILES:
C1(O)C(C)(C)Oc2cc(CCCCC)cc(O)c2C1=O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 278.348

CB1 binding score: -18.149

InChIKey:
PWNRYJVNGXSCQW-UHFFFAOYSA-N

ID: 84276

SMILES:
C1C2c3c(cc(CCC)cc3O)OC3(C)C2C(CC(C)C)(C3)O1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -15.275

InChIKey:
DEFLNGMOZCKPMA-UHFFFAOYSA-N

ID: 84277

SMILES:
c1(O)cc(CCCCCC)cc2c1C1CC(=C)CCCC1(C)CCC(C(C)(O)C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 414.63

CB1 binding score: -18.411

InChIKey:
MKUWRHPOIIRQRL-UHFFFAOYSA-N

ID: 84278

SMILES:
C(O)C1(C)CC2=C(c3c(cc(CCCCC)cc3O)OC2(C)C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -15.553

InChIKey:
SXTGKIRWDGZBDS-UHFFFAOYSA-N

ID: 84279

SMILES:
C1CC(C(C)(C)O)C(c2c(O)cc(CCCCCC)cc2)OC1(C)C=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.538

CB1 binding score: -14.447

InChIKey:
WRZQIUMFLLIJSD-UHFFFAOYSA-N

ID: 84280

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids;Tetraketide meroterpenoids

MW: 384.604

CB1 binding score: -20.123

InChIKey:
WYEFRBILENQYOH-UHFFFAOYSA-N

ID: 84281

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

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 312.453

CB1 binding score: -17.406

InChIKey:
LBFHMZJMEPHVGO-UHFFFAOYSA-N

ID: 84282

SMILES:
O1c2cc(CCCC(CC)O)cc(O)c2C2C=C(CCC=C(C)C)C(=O)OC12

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 386.488

CB1 binding score: -14.509

InChIKey:
VLFBBRWSIJTKNN-UHFFFAOYSA-N

ID: 84283

SMILES:
C12CCC(C)=CCCC(CO)=CC1c1c(O)cc(CCCCC)cc1O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.506

CB1 binding score: -15.8

InChIKey:
QJPJJQBWXIXFAJ-UHFFFAOYSA-N

ID: 84284

SMILES:
C(CC(C)=O)C1C(C)(C)Oc2cc(CCCCC)c(C(=O)O)c(O)c21

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 348.439

CB1 binding score: -17.706

InChIKey:
VVOHWNMWGVKHEK-UHFFFAOYSA-N

ID: 84285

SMILES:
C(CCC)Cc1cc(O)c2c(c1)OC(C)(C)C1CC=C(C(OC)=O)CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.478

CB1 binding score: -18.703

InChIKey:
ODGYRHKHFGCIRR-UHFFFAOYSA-N

ID: 84286

SMILES:
C(Cc1cc(O)c2c(c1)OC(C)(C)C1C2C(O)C(O)(C)CC1)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 320.385

CB1 binding score: -15.531

InChIKey:
RZAPDUYJNFSLFD-UHFFFAOYSA-N

ID: 84287

SMILES:
CC1(C)Oc2c(c(O)cc(CCCCC)c2)C2C=C(C(O)=O)CC=C21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.435

CB1 binding score: -16.624

InChIKey:
TVLFNVCHTHIWIT-UHFFFAOYSA-N

ID: 84288

SMILES:
C1c2c3c(O)cc(C)cc3c(C(C)C)cc1OCO2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.317

CB1 binding score: -13.842

InChIKey:
RKWQPWYYKGFIBN-UHFFFAOYSA-N

ID: 84289

SMILES:
C1(O)(C)C2C(C(C(C)(C)O)CC1)c1c(cc(CCCCC)cc1O)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 348.483

CB1 binding score: -17.848

InChIKey:
GODMIXAMIQIMFE-UHFFFAOYSA-N

ID: 84290

SMILES:
C1(C)CCC2(C)Oc3c(c(O)cc(CCCCC)c3)C3OC(=O)C(=C)C3CC12O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 400.515

CB1 binding score: -16.316

InChIKey:
XAJHGXFZUTVBSN-UHFFFAOYSA-N

ID: 84291

SMILES:
C(CCc1cc(O)c2c(c1)OC(C)(C)C1CC=C(C)CC12)(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -17.956

InChIKey:
ZKWJTCFAAXQQLZ-UHFFFAOYSA-N

ID: 84292

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.512

CB1 binding score: -17.784

InChIKey:
QPUHYZGLKQWEKI-UHFFFAOYSA-N

ID: 84293

SMILES:
c1(C(C)C)cc(C2COc3cc(CCCCC)cc(OC)c3C2C=C(C)C)c(O)c2c1OC(C)(C)C=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 504.711

CB1 binding score: -14.224

InChIKey:
IPRRBWCGOJVBAJ-UHFFFAOYSA-N

ID: 84294

SMILES:
c1(CCCCCC)c(O)cc2c(c1)OC(C)(CCC=C(C)C)C=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -16.458

InChIKey:
CVRJTPQPRIGWSV-UHFFFAOYSA-N

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84274–84294 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