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Molecule Identifiers
Molecular Properties

ID: 102733

SMILES:
C(c1c(O)cc2c(c1)OC(C)(C)C1C2C=C(C)CC1)(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -19.007

InChIKey:
QWOGQDLYJIUGPH-UHFFFAOYSA-N

ID: 102734

SMILES:
C(c1cc(O)c(CC=C(C)C)c(O)c1)CC(C)(CCC1C(C)(C)C(Br)CCC1=C)O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids;Tetraketide meroterpenoids

MW: 479.499

CB1 binding score: -15.876

InChIKey:
WJHYQGMOEXBAQW-UHFFFAOYSA-N

ID: 102735

SMILES:
C1=Cc2c(c(O)cc(CCCCC)c2)C2C=C1C(O)CCC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 326.48

CB1 binding score: -15.066

InChIKey:
NMGXCFDDLZUBOD-UHFFFAOYSA-N

ID: 102736

SMILES:
C1C2C=C(C)CCC2C(C)(C)Oc2cc(CCCCC)cc(O)c21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -17.951

InChIKey:
CSAQQDLBKSCGOR-UHFFFAOYSA-N

ID: 102737

SMILES:
c1(C=O)c(O)c2c(cc1CCC)OC(C)(C)C1C2CC(C)=CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.425

CB1 binding score: -16.502

InChIKey:
WBPGZWLPQRAYLG-UHFFFAOYSA-N

ID: 102738

SMILES:
c1(O)c2c(cc(O)c1CC1CC(OCC)OC1(C)CCC=C(C)C)OC(C)(C)C=C2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 416.558

CB1 binding score: -15.427

InChIKey:
PCYJHRPZVNSILU-UHFFFAOYSA-N

ID: 102739

SMILES:
CC1=CCC(OC)c2c(O)cc(CCCCC)cc21

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 260.377

CB1 binding score: -15.531

InChIKey:
IPYMSJBSGGMIKX-UHFFFAOYSA-N

ID: 102740

SMILES:
O1c2c(ccc(O)c2)C2C=C(C)C3CCC(C)C3C2C1(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 298.426

CB1 binding score: -8.973

InChIKey:
OSQBHRSFLPZCHE-UHFFFAOYSA-N

ID: 102741

SMILES:
C(C)(Oc1c2c(cc(CCCCC)c1)OC(C)(C)C1CC=C(C)CC12)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.506

CB1 binding score: -18.166

InChIKey:
WPRGTCVOBXQUHO-UHFFFAOYSA-N

ID: 102742

SMILES:
CC(C1CCC(C)=CC1c1cc(CCCCC)cc(O)c1)(C)C(OC)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.522

CB1 binding score: -14.892

InChIKey:
SEBVFIWXHPARMJ-UHFFFAOYSA-N

ID: 102743

SMILES:
C1CC(C)=C2c3c(cc(C)cc3O)OC(C)(C)C12

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 244.334

CB1 binding score: -18.057

InChIKey:
QIDROIGZBLIHGX-UHFFFAOYSA-N

ID: 102744

SMILES:
c1cc(C)cc(CC2=CCC(C(C)=C)CC2c2ccc(O)c(CC=C(C)C)c2CCCCCO)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 472.713

CB1 binding score: -14.3

InChIKey:
HMOZWTWEBMYEBZ-UHFFFAOYSA-N

ID: 102745

SMILES:
O(c1cc(CCCCC)cc2c1C1C=C(C)CCC1C(C)(C)O2)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -19.348

InChIKey:
FJRQDVCLUUZSIG-UHFFFAOYSA-N

ID: 102746

SMILES:
CC(C)=CCCC1=CCOc2cc(C(=O)OC)c(CCCCC)cc21

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.479

CB1 binding score: -16.425

InChIKey:
MSMYNWPDJOXZNH-UHFFFAOYSA-N

ID: 102747

SMILES:
CCC(Oc1cc(O)c(C2C(C(C)=C)CCC(C)=C2)c(O)c1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -15.427

InChIKey:
ZGZSLMJHCRIJFY-UHFFFAOYSA-N

ID: 102748

SMILES:
C1=C(C)CCC2C(C)(C)Oc3c(ccc(C)c3)C12

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 242.362

CB1 binding score: -19.037

InChIKey:
TWNNHTGNOPUEHO-UHFFFAOYSA-N

ID: 102749

SMILES:
C12CC(=O)C(CO)=CC1c1c(cc(CCCCC)cc1O)OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.451

CB1 binding score: -18.174

InChIKey:
CJRHYYRYCGLADH-UHFFFAOYSA-N

ID: 102750

SMILES:
CC1(C)C2C(C)(Oc3cc(CCCCC)cc(OC)c3C2)CCC1Br

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 409.408

CB1 binding score: -16.103

InChIKey:
ZZNHZXKBRAAJBU-UHFFFAOYSA-N

ID: 102751

SMILES:
C(CCCc1cc(O)c2c(c1)OC(C)(C)C1CCC(=C)C(O)CCC(=C)C21)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 384.56

CB1 binding score: -15.062

InChIKey:
WWBPYPBDUPFHKL-UHFFFAOYSA-N

ID: 102752

SMILES:
c1cc(CC)c(O)c2c1OC(C)(C)C1CC=C(C)CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 272.388

CB1 binding score: -15.929

InChIKey:
UPNIDEUQSKHBSS-UHFFFAOYSA-N

ID: 102753

SMILES:
C1(C)CCC(C(=C)C)C(c2cc(CCC)cc(O)c2)C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 272.432

CB1 binding score: -15.497

InChIKey:
JEIMENFSZYLIJT-UHFFFAOYSA-N

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102733–102753 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