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Molecule Identifiers
Molecular Properties

ID: 36604

SMILES:
C(CCO)(Cc1c2c(ccc1O)OC(C)(C)C1C2C=C(C)CC1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -15

InChIKey:
AZQJHKQQTCJVSE-UHFFFAOYSA-N

ID: 36605

SMILES:
C1=C2C(C)=C(C)CCC2(C)c2c(O)cc(CCCCC)cc2O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 312.453

CB1 binding score: -14.689

InChIKey:
WGOGNPPHZKIOKT-UHFFFAOYSA-N

ID: 36606

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 340.507

CB1 binding score: -15.087

InChIKey:
ZNTONHDXPKMKDA-UHFFFAOYSA-N

ID: 36607

SMILES:
C(CCc1cc(O)c(C2C(C(C)(C)O)CCC(C)=C2)c(O)c1)CC(C)=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.522

CB1 binding score: -14.698

InChIKey:
ZBJHJKXVOIFKIG-UHFFFAOYSA-N

ID: 36608

SMILES:
c1(C)c(C(CC)C)cc(Oc2cc3c(c(C)c2)OC(C)(C)C=C3)cc1CC=C(CCC=C(C)C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 472.713

CB1 binding score: -15.929

InChIKey:
QOTIPXDQMNAFPY-UHFFFAOYSA-N

ID: 36609

SMILES:
C1(C)=CC2c3c(cc(CCC)cc3O)OC(C)(C)C2CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -19.321

InChIKey:
ZROLHBHDLIHEMS-UHFFFAOYSA-N

ID: 36610

SMILES:
C1=C2C3(OC4c5c(O)cc(CCCCC)cc5OC23COC(=O)C=C(C(OC(C)=O)CC)C4)C(C)C1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 496.6

CB1 binding score: -15.616

InChIKey:
SFNYCOXYMUZUBU-UHFFFAOYSA-N

ID: 36611

SMILES:
C(CC)Cc1cc2c(c(O)c1)C1C(C(C)(C)O2)CC=C(C)CC1=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -17.043

InChIKey:
KFWAPSDWOMWPJA-UHFFFAOYSA-N

ID: 36612

SMILES:
C(C)(C)=CCCc1c(C)c(O)c2c(c1)OC(C)(C)C1C2CC(C=O)=CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 354.49

CB1 binding score: -13.15

InChIKey:
NFVSHYLSPDFAQM-UHFFFAOYSA-N

ID: 36613

SMILES:
O1c2cc(CCCCC)cc(O)c2C2C1C(O)CC2(C)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 290.403

CB1 binding score: -15.302

InChIKey:
PSRDANRPQIZPQZ-UHFFFAOYSA-N

ID: 36614

SMILES:
CC1(C)C2C(C)(Oc3c(c(O)cc(CCCCC)c3)C2=O)CCC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -17.615

InChIKey:
IQKGHLTXTPDDJD-UHFFFAOYSA-N

ID: 36615

SMILES:
c12c(O)cc(CCC)cc1OC(CCC=C(CO)CCC=C(C)C)C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 388.548

CB1 binding score: -12.394

InChIKey:
PYLYXSGPBCTLOL-UHFFFAOYSA-N

ID: 36616

SMILES:
Oc1c2c(cc(CCCCC)c1)OC(C)(C)C1CCC(CO)=CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -19.121

InChIKey:
YCBKSSAWEUDACY-UHFFFAOYSA-N

ID: 36617

SMILES:
C1(c2c(O)cc(CCCCC)cc2O)C=C(CO)CCC1C(C)=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -20.344

InChIKey:
ZELUXPWDPVXUEI-UHFFFAOYSA-N

ID: 36618

SMILES:
C(C)C(C(=O)c1c2c(c(O)c(CC=C(C)C)c1O)OC(C)(C)C1C2C=C(C)CC1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 412.57

CB1 binding score: -17.158

InChIKey:
PWARNFPVSWWZMG-UHFFFAOYSA-N

ID: 36619

SMILES:
C1(C)(C)C2C(CC)(C=C(C)CC2)c2c(O)cc(CCC)cc2O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -13.778

InChIKey:
XKMMBHQGNRAMEH-UHFFFAOYSA-N

ID: 36620

SMILES:
C1(O)CC(C)=CC(c2ccc(CCCCC)cc2)C(C(C)=C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 312.497

CB1 binding score: -14.748

InChIKey:
DMOCFBXUMONLFP-UHFFFAOYSA-N

ID: 36621

SMILES:
OC1(C)CCC(C(O)(C)CCC=C(CCC=C(C)C)C)=CC1c1c(O)cc(CCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 456.667

CB1 binding score: -11.574

InChIKey:
OYGWXZSPGFKYTJ-UHFFFAOYSA-N

ID: 36622

SMILES:
CC(=CCc1c(O)cc(CCc2ccccc2)cc1O)CCC=C(C)CCC=C(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 418.621

CB1 binding score: -19.13

InChIKey:
IWSASXREQYAISF-UHFFFAOYSA-N

ID: 36623

SMILES:
C(=C(C)C)CCC(O)(C)C1CC2C(C)(Oc3c(cc(CCCC)c(O)c3OC)C2)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 430.629

CB1 binding score: -15.505

InChIKey:
OTLROBSHGVGWFJ-UHFFFAOYSA-N

ID: 36624

SMILES:
C(C)C(C)C(OCc1cc(O)c(C2C=C(C)CCC2C(=C)C)cc1)O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -13.875

InChIKey:
OMOHSWBVYDCGRG-UHFFFAOYSA-N

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36604–36624 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