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Molecule Identifiers
Molecular Properties

ID: 73312

SMILES:
CCC(CCC(=C)C=C1OC(C)(C)CC1)=CCc1c(O)c(C)cc(OC)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.533

CB1 binding score: -14.239

InChIKey:
BIXKYIHGONBOQZ-UHFFFAOYSA-N

ID: 73313

SMILES:
OC1(C)C(c2c(O)cc(CCC)cc2OC)CC(C(C)(O)C)OC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 338.444

CB1 binding score: -12.148

InChIKey:
SJJWTXJLMFRXNM-UHFFFAOYSA-N

ID: 73314

SMILES:
c1(COC(=O)C)cc(OC)c2c(c1)OC(C)(C)C1CCC(C)=CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.424

CB1 binding score: -15.869

InChIKey:
HYACFWIHCXMKDM-UHFFFAOYSA-N

ID: 73315

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids;Tetraketide meroterpenoids

MW: 314.469

CB1 binding score: -18.27

InChIKey:
PBVXSNIWCHRXCN-UHFFFAOYSA-N

ID: 73316

SMILES:
C(C)(=CCCC(C)=CCc1c(O)cc(C2C=C(C)CCC2=C)c(O)c1)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 352.518

CB1 binding score: -16.502

InChIKey:
SJAVNFDEWOMFKN-UHFFFAOYSA-N

ID: 73317

SMILES:
C12C(C)CCC1C(C)(C)Oc1cc(CCCCC)cc(O)c12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.458

CB1 binding score: -19.029

InChIKey:
HCVJHHUJBXZYBI-UHFFFAOYSA-N

ID: 73318

SMILES:
CC(=CCCC1(C)Cc2c(O)cc(C)c(CCCCC)c2O1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -13.847

InChIKey:
KHQPUZJNFOEZHV-UHFFFAOYSA-N

ID: 73319

SMILES:
c1(CCCCC)c(C(=O)O)c(O)c(C2C(C(C)=C)CC=C(CCC=C(C)C)C2)c(-c2c(O)cc(CCCCC)cc2O)c1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 604.828

CB1 binding score: -15.821

InChIKey:
NOJNWVXJIFEVBN-UHFFFAOYSA-N

ID: 73320

SMILES:
c1c(C)cc2c3c1OC(C)(C)C1C3C=C(CO)C(C2)OC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.371

CB1 binding score: -15.719

InChIKey:
QAIYGDLRGLQJTP-UHFFFAOYSA-N

ID: 73321

SMILES:
c12c(c(O)cc(CCCCC)c1)C1C(C(C)(CCC=C(C)C)O2)CCC(C)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 382.588

CB1 binding score: -17.852

InChIKey:
SFUFRHMPPGZMCA-UHFFFAOYSA-N

ID: 73322

SMILES:
CC1(C)Oc2cc(CCCCC)c(C(=O)O)c(O)c2C2CC3(C)C4CCC(=C)C4CC3C(C)=CCC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 492.7

CB1 binding score: -15.623

InChIKey:
DKMYVPUPCGNHDK-UHFFFAOYSA-N

ID: 73323

SMILES:
C(C1=CC2C(C(C)(C)Oc3c2cc(O)c(O)c3)C2C1CC(CCC=C(C)C)=CC2)O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 410.554

CB1 binding score: -15.705

InChIKey:
DPWRGSHPSUNCMR-UHFFFAOYSA-N

ID: 73324

SMILES:
c1(CCCOC(CCCCC)=O)cc2c(c(O)c1)C1C=C(CO)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 416.558

CB1 binding score: -12.703

InChIKey:
MTIYQZAMUHOGLU-UHFFFAOYSA-N

ID: 73325

SMILES:
c1(O)cc(C)c2c(c1)-c1c(ccc(CCCC(C)(C)O)c1)C(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 340.463

CB1 binding score: -14.245

InChIKey:
NCNYFPZUKHPFFX-UHFFFAOYSA-N

ID: 73326

SMILES:
c1(O)c(C(CC(C)C)=O)c(O)c2c(c1)C1C=C(C)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.451

CB1 binding score: -17.113

InChIKey:
NYKOXCYSVAOSSR-UHFFFAOYSA-N

ID: 73327

SMILES:
Oc1c(O)c(CCCCC)cc(O)c1CC=C(CCC=C(C)C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -19.433

InChIKey:
PQJHNORQVFURSH-UHFFFAOYSA-N

ID: 73328

SMILES:
Oc1c(O)c2c(cc1)OC(C)(C)C1CC=C(C)CC21

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 260.333

CB1 binding score: -16.985

InChIKey:
MYRUYLQSQBCOMO-UHFFFAOYSA-N

ID: 73329

SMILES:
C1(C)(CCC=C(C)C)Oc2cc(CCCCC)cc(O)c2C=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.933

InChIKey:
UVOLYTDXHDXWJU-UHFFFAOYSA-N

ID: 73330

SMILES:
O1c2cc(CCCCC)cc(O)c2C2CC(C)=CCC12C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -16.979

InChIKey:
RPIAMKIGKMZKPE-UHFFFAOYSA-N

ID: 73331

SMILES:
CC1(C)Cc2c(ccc(C)c2C(CCCCC)CO)O1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 276.42

CB1 binding score: -15.174

InChIKey:
AVWRHNRMAFAHFF-UHFFFAOYSA-N

ID: 73332

SMILES:
c12c(cc(CCCCC)cc1O)OC(C)(C)c1cc(O)c(C)cc1-2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 326.436

CB1 binding score: -18.225

InChIKey:
XUERFRQVGLONMR-UHFFFAOYSA-N

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73312–73332 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