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Molecule Identifiers
Molecular Properties

ID: 101809

SMILES:
C1(C)(C)Oc2c(c(O)cc(CCCCC)c2)C2C=C(CCC1C(=C)C)CCC2C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 396.615

CB1 binding score: -16.078

InChIKey:
QKGDXHNONNDTEF-UHFFFAOYSA-N

ID: 101810

SMILES:
C(C)(C1CCC(CO)CC1c1c(O)cc(CCCCC)cc1O)=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -16.535

InChIKey:
IQKSPCWCAXITBO-UHFFFAOYSA-N

ID: 101811

SMILES:
Oc1c(CC(O)C)cc(O)c(CC=C(CCC=C(C)C)C)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.43

CB1 binding score: -18.306

InChIKey:
QJRQZQBJSJPOFD-UHFFFAOYSA-N

ID: 101812

SMILES:
c1(C2C(C(C)=C)CCC(C)=C2)c(O)cc(C)cc1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 242.362

CB1 binding score: -19.801

InChIKey:
MISWBPJELUDMFI-UHFFFAOYSA-N

ID: 101813

SMILES:
O=C(c1cc(O)c2c(c1)OC(C)(C)C1C2C=C(C)CC1)CC(O)C=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.489

CB1 binding score: -16.609

InChIKey:
WPKYXVAMZUBKPT-UHFFFAOYSA-N

ID: 101814

SMILES:
C12C(CCC1C)C(C)(C)Oc1c2c(O)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.458

CB1 binding score: -19.029

InChIKey:
HCVJHHUJBXZYBI-UHFFFAOYSA-N

ID: 101815

SMILES:
Oc1c(O)cc(C2C(C(C)=C)CCC(C)=C2)c(O)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 260.333

CB1 binding score: -18.204

InChIKey:
MCOHBLINZXMLKV-UHFFFAOYSA-N

ID: 101816

SMILES:
O(CCc1cc(O)c(C2C=C(C)CCC2C(C)CCC=C(C)C)c(O)c1)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.549

CB1 binding score: -15.929

InChIKey:
WSTXKAMRHMYTOU-UHFFFAOYSA-N

ID: 101817

SMILES:
CCC(C(=CC(=O)OC1C(C)C2(C)Cc3cc(O)c(C)cc3O2)C(C)C1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.505

CB1 binding score: -15.916

InChIKey:
LKGUXEKSNSZKSS-UHFFFAOYSA-N

ID: 101818

SMILES:
c1(C)cccc(O)c1C1C(C(=C)C)CCC(C)=C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 242.362

CB1 binding score: -18.764

InChIKey:
VCTOYXGKNMVKJN-UHFFFAOYSA-N

ID: 101819

SMILES:
CCCCCc1cc(OC)c(O)c2c1OC(C)(C)C(O)C2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 294.391

CB1 binding score: -18.051

InChIKey:
DERXBPBRVDHIRR-UHFFFAOYSA-N

ID: 101820

SMILES:
CC(=CCCC(C(=O)O)=CCCC(=CCc1c(O)cc(CCC)cc1OC(C)=O)C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 428.569

CB1 binding score: -14.44

InChIKey:
GBCHCFALTGBROG-UHFFFAOYSA-N

ID: 101821

SMILES:
C1C2(C)OC(C1C(C)CCC(C(C)(C)O)O)Cc1c(O)cc(CCCCC)cc1O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 420.59

CB1 binding score: -13.052

InChIKey:
WJLAQZAQWGKSEB-UHFFFAOYSA-N

ID: 101822

SMILES:
C(c1c(O)c(C2C(C(C)C)CCC(C)=C2)c(O)cc1OC)CCCCCCC

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 388.592

CB1 binding score: -15.161

InChIKey:
KNPNNBPISGFKSN-UHFFFAOYSA-N

ID: 101823

SMILES:
C12(C)OC1CCC1(C)C(CCC(C)=C)c3ccc(CCCC)cc3OC(C)(C)C1CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 424.669

CB1 binding score: -12.721

InChIKey:
RXPWQBWROLPPKO-UHFFFAOYSA-N

ID: 101824

SMILES:
C(c1cc(O)c(O)c2c1C=CC(CCC=C(C)C)(C)O2)CC

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.414

CB1 binding score: -16.813

InChIKey:
ZSUIMIQQHNVDHU-UHFFFAOYSA-N

ID: 101825

SMILES:
C(CCCC)c1cc(O)c2c(c1)OC1(C)CCC(C(C)C)C2C1=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -17.058

InChIKey:
FWKBFUSGLZURMA-UHFFFAOYSA-N

ID: 101826

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

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 290.359

CB1 binding score: -17.898

InChIKey:
GAFJPKUQMKPOLS-UHFFFAOYSA-N

ID: 101827

SMILES:
c1(C2C(C(=C)C)CCC(C)=C2)c(O)cc(CCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -19.532

InChIKey:
REOZWEGFPHTFEI-UHFFFAOYSA-N

ID: 101828

SMILES:
CC1(C)Oc2cc(CCCCC)cc(O)c2C2C=C(CCC=C(C)C)CCC12O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 398.587

CB1 binding score: -14.239

InChIKey:
UMSWOJXNJYITTN-UHFFFAOYSA-N

ID: 101829

SMILES:
C12C=C(C)CCC1C(C)(C)Oc1c2ccc(CC=CCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 296.454

CB1 binding score: -16.062

InChIKey:
KEJIZFVVMWXYFA-UHFFFAOYSA-N

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101809–101829 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