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Molecule Identifiers
Molecular Properties

ID: 120730

SMILES:
O1c2cc(CCCCC)cc(O)c2C2C(C(C)C)CCC1(C)O2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.457

CB1 binding score: -17.64

InChIKey:
HIMFNKBTRODRPF-UHFFFAOYSA-N

ID: 120731

SMILES:
c1c(C2=CCC=C2)cc(O)c(C2C=C(C)CCC2C(C)=C)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 292.422

CB1 binding score: -15.631

InChIKey:
WMVFVLXBRFXOJR-UHFFFAOYSA-N

ID: 120732

SMILES:
CC(C)(O)C1CC2(C(=O)OC3C24C(c2c(O)cc(CCCCC)cc2O)C(CC3=C(C)C(=O)C4)O1)C(=O)OC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 542.625

CB1 binding score: -13.184

InChIKey:
VJDTXXDIDROJJV-UHFFFAOYSA-N

ID: 120733

SMILES:
C1(C)=CC(c2cc(CCCCC)cc(O)c2O)C(C(C)=C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -18.334

InChIKey:
VEBHZTTZGZYZIW-UHFFFAOYSA-N

ID: 120734

SMILES:
c1(O)c2c(cc(CCCCC)c1)OC(C)(C)C1=C2C(=O)C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -18.882

InChIKey:
UEFGHYCIOXYTOG-UHFFFAOYSA-N

ID: 120735

SMILES:
CN(CC(=C(C)C)Cc1c(O)c(C2C=C(C)CCC2C(C)=C)c(O)cc1O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 385.548

CB1 binding score: -14.828

InChIKey:
DJMKKPPVGGYSEO-UHFFFAOYSA-N

ID: 120736

SMILES:
C1CC2(C)Oc3c(c(O)cc(CCCCC)c3)CC2=C1C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -15.598

InChIKey:
KCITXNHHYAYVSA-UHFFFAOYSA-N

ID: 120737

SMILES:
Oc1cc(O)cc(C)c1C1C=C(C)CCC1C(=C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -18.798

InChIKey:
KDZOUSULXZNDJH-UHFFFAOYSA-N

ID: 120738

SMILES:
C(C=O)(c1cc(CC(C(C)C)=O)cc2c1OC(C)(C)C1CCC(C)=CC21)=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 366.501

CB1 binding score: -15.066

InChIKey:
ZHULGGPPRZQZFG-UHFFFAOYSA-N

ID: 120739

SMILES:
C12C(C)CC(O)C1C(C)(C)Oc1cc(CCCCC)cc(O)c12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.457

CB1 binding score: -18.284

InChIKey:
DNLLDPNMQKIFFI-UHFFFAOYSA-N

ID: 120740

SMILES:
O1C(C)(CCC=C(C)C)C=Cc2cc(C(O)=O)c(CCCCC)cc21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.479

CB1 binding score: -17.718

InChIKey:
BEMDFPISFCAMPJ-UHFFFAOYSA-N

ID: 120741

SMILES:
C12CCC(C)=CC1c1c(c(C(=O)CCCCC)c(C(O)=O)c(O)c1)CC2(C)CCCC(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 454.651

CB1 binding score: -11.615

InChIKey:
YVJPHPDGCWOIDA-UHFFFAOYSA-N

ID: 120742

SMILES:
c12c(O)cc(CCCCC)cc1OC(C)(C)C1C2CC(C)C=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -19.32

InChIKey:
WWYMYGIVLCKTBL-UHFFFAOYSA-N

ID: 120743

SMILES:
C1(=O)CC2(C)C(Oc3c(c(O)cc(CCCCC)c3)C1)C2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -13.456

InChIKey:
FULFMOGMCRCWRG-UHFFFAOYSA-N

ID: 120744

SMILES:
O(C(=O)C)c1c(CCCCC)cc2c(c1O)C1CC(C(=C)C)CCC1(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.505

CB1 binding score: -15.656

InChIKey:
UXHSBZFHMDTQAL-UHFFFAOYSA-N

ID: 120745

SMILES:
C(CCC)Cc1cc(O)c(O)c2c1OC(CCC=C(C)C)(C)C=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -16.915

InChIKey:
LFOHLNWEMZXYBJ-UHFFFAOYSA-N

ID: 120746

SMILES:
O1c2c(c(OC)cc(CCCCC)c2)C2CC(C)=CC(O)CC(C)=CCCC1=CC2=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 422.609

CB1 binding score: -13.323

InChIKey:
MTLOVCSRSMLAES-UHFFFAOYSA-N

ID: 120747

SMILES:
c1(C)c(C2CC(C)=CCC2C(O)(C)C)c(O)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.512

CB1 binding score: -14.798

InChIKey:
YQRUAIDECQFIKP-UHFFFAOYSA-N

ID: 120748

SMILES:
CC12Oc3c(c(OC(C)=O)cc(CCCCC)c3)C(C(=C)CO1)C2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.424

CB1 binding score: -16.335

InChIKey:
ULOKUFSRRIELOK-UHFFFAOYSA-N

ID: 120749

SMILES:
CC1=CCCC(=C)C=C2C(CC1)C(C)(C)Oc1cc(CCCCC)cc(O)c12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 380.572

CB1 binding score: -16.031

InChIKey:
OXKLLQCJJQTUHJ-UHFFFAOYSA-N

ID: 120750

SMILES:
C1C(C)(C)CC2C1c1c(cc(CCCCC)cc1O)OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -18.02

InChIKey:
IXCMIZVDMJHBOT-UHFFFAOYSA-N

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120730–120750 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