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Molecule Identifiers
Molecular Properties

ID: 130159

SMILES:
CCCCC(c1c(O)cc2c(c1)OC(C)(C)C1CC(=O)C(C)=CC12)Cc1ccc(O)c(O)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 450.575

CB1 binding score: -12.107

InChIKey:
UAQYBCBOVGHDMM-UHFFFAOYSA-N

ID: 130160

SMILES:
c1(OC)c(CC=C(CCC=C(C)C)C)c(O)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.512

CB1 binding score: -19.49

InChIKey:
KASVLYINZPAMNS-UHFFFAOYSA-N

ID: 130161

SMILES:
C12c3c(O)cc(CCCCC)cc3OC1(C)CC=CC(C)(C)CC=C(C)CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 382.588

CB1 binding score: -15.603

InChIKey:
ZOISKORAHQHROP-UHFFFAOYSA-N

ID: 130162

SMILES:
c12c(O)cc(CCCCCCCCCCCCCCCC)cc1OC1(C)CCC(C(C)(C)O)C1C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 486.781

CB1 binding score: -14.451

InChIKey:
HIWDJIWZWRYFNN-UHFFFAOYSA-N

ID: 130163

SMILES:
C1(COC(=O)C(Cl)C(CC)C)=CC2c3c(cc(CCCCCCC)cc3O)OC(C)(C)C2CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 491.112

CB1 binding score: -15.655

InChIKey:
XUWPVVQKJLGLBH-UHFFFAOYSA-N

ID: 130164

SMILES:
C1C(CCC=C(C)C)(C)Oc2cc(CCCCC)cc(O)c2C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -19.791

InChIKey:
ORKZJYDOERTGKY-UHFFFAOYSA-N

ID: 130165

SMILES:
CC1=CC(c2c(O)cc(CCC)cc2O)C(C(=C)C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -19.532

InChIKey:
REOZWEGFPHTFEI-UHFFFAOYSA-N

ID: 130166

SMILES:
C1C(C(=C)C)C(c2c(O)cc(O)cc2CCCC)CC(=C(C)C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -16.174

InChIKey:
KSANDAVIGFKNGO-UHFFFAOYSA-N

ID: 130167

SMILES:
C1CC(C)=CC2c3c(cc(C)cc3O)OC(C)(C)C12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -20.957

InChIKey:
WIDIPARNVYRVNW-UHFFFAOYSA-N

ID: 130168

SMILES:
C1c2c(C(C(C(C)CC)OC(C)=O)=O)cc(CCCCC)cc2OC(C)(C)C1CCC(C=C)(O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 486.693

CB1 binding score: -12.088

InChIKey:
UFDYRBZVTRYTKI-UHFFFAOYSA-N

ID: 130169

SMILES:
C(CC)CCCc1cc(O)c(C2C=C(C)CCC2C(C)=C)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -18.609

InChIKey:
HAKUWGCTBUVNJQ-UHFFFAOYSA-N

ID: 130170

SMILES:
C(c1c(O)c2c(cc1CCCCC)OC(C)(C)C1CCC(C)=CC21)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.523

CB1 binding score: -16.574

InChIKey:
KBHZYHQLIWYCMN-UHFFFAOYSA-N

ID: 130171

SMILES:
O(C)c1cc(OC)c(C2C(C(=C)C)CCC(C)=C2)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.387

CB1 binding score: -18.651

InChIKey:
RBOIQFDUPWFAHT-UHFFFAOYSA-N

ID: 130172

SMILES:
CC(=CC(=O)CC(C)=CCc1c(O)c2c(cc1O)-c1c(c(O)cc(CCCCC)c1)CC(O)C(C)(C)O2)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids;Tetraketide meroterpenoids

MW: 522.682

CB1 binding score: -14.605

InChIKey:
YTPOHKSUAUCPSM-UHFFFAOYSA-N

ID: 130173

SMILES:
CC1(C)Oc2c(c(O)cc(CCCCC)c2)C2C1CC=C(C)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.121

InChIKey:
HCAWPGARWVBULJ-UHFFFAOYSA-N

ID: 130174

SMILES:
c1(CCCCC)cc2c(c(O)c1)C1C(C(C)(C)O2)CCC(C)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 130175

SMILES:
CC(C)c1c(O)cc(O)c2c1OC(C)(C)C1CCC(C)=CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.414

CB1 binding score: -16.015

InChIKey:
LPWCMGRVXAJIEU-UHFFFAOYSA-N

ID: 130176

SMILES:
CC1(C)Oc2ccc(C(C)(C)C)c(O)c2CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 234.339

CB1 binding score: -17.716

InChIKey:
UZQVSCLGRFPKIQ-UHFFFAOYSA-N

ID: 130177

SMILES:
C(CCC)Cc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 130178

SMILES:
CCCCCC(c1cc2c(c(O)c1)C1C(CC=C(C)C1)C(C)(C)O2)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.479

CB1 binding score: -16.997

InChIKey:
LWDBLQTYJUIETF-UHFFFAOYSA-N

ID: 130179

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.371

CB1 binding score: -19.028

InChIKey:
QHZLUVDETBQVKV-UHFFFAOYSA-N

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130159–130179 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